CID 476800

Cp-131

Structural Information

Molecular Formula
C30H65NO6P
SMILES
CCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OCCCCCCCCCC
InChI
InChI=1S/C30H64NO6P/c1-6-8-10-12-14-16-17-18-20-22-25-34-28-30(35-26-23-21-19-15-13-11-9-7-2)29-37-38(32,33)36-27-24-31(3,4)5/h30H,6-29H2,1-5H3/p+1
InChIKey
BEJCZRIZXNXDPN-UHFFFAOYSA-O
Compound name
2-[(2-decoxy-3-dodecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

566.45496 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.46224 250.7
[M+Na]+ 589.44418 253.0
[M-H]- 565.44768 242.2
[M+NH4]+ 584.48878 253.6
[M+K]+ 605.41812 251.1
[M+H-H2O]+ 549.45222 235.4
[M+HCOO]- 611.45316 263.2
[M+CH3COO]- 625.46881 255.1
[M+Na-2H]- 587.42963 232.3
[M]+ 566.45441 248.0
[M]- 566.45551 248.0
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.