CID 10209974

3-aminopropyl-dl-alpha-tocopheryl phosphate

Structural Information

Molecular Formula
C32H58NO5P
SMILES
CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OP(=O)(O)OCCCN)C
InChI
InChI=1S/C32H58NO5P/c1-23(2)13-9-14-24(3)15-10-16-25(4)17-11-19-32(8)20-18-29-28(7)30(26(5)27(6)31(29)37-32)38-39(34,35)36-22-12-21-33/h23-25H,9-22,33H2,1-8H3,(H,34,35)
InChIKey
GGWBQVQDZWDMAE-UHFFFAOYSA-N
Compound name
3-aminopropyl [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

567.4053 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.41258 254.9
[M+Na]+ 590.39452 254.3
[M-H]- 566.39802 253.9
[M+NH4]+ 585.43912 260.4
[M+K]+ 606.36846 252.5
[M+H-H2O]+ 550.40256 245.0
[M+HCOO]- 612.40350 267.6
[M+CH3COO]- 626.41915 265.0
[M+Na-2H]- 588.37997 244.8
[M]+ 567.40475 263.2
[M]- 567.40585 263.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.