CID 3085466

71426-91-0

Structural Information

Molecular Formula
C23H46NO3P
SMILES
CCCCCCCCC=CCCCCCCCCNP1(=O)OCC(CO1)(C)C
InChI
InChI=1S/C23H46NO3P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-28(25)26-21-23(2,3)22-27-28/h11-12H,4-10,13-22H2,1-3H3,(H,24,25)
InChIKey
GUNVBLROSRGRAL-UHFFFAOYSA-N
Compound name
5,5-dimethyl-N-octadec-9-enyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.32153 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.32881 212.7
[M+Na]+ 438.31075 213.0
[M-H]- 414.31425 213.2
[M+NH4]+ 433.35535 224.7
[M+K]+ 454.28469 211.1
[M+H-H2O]+ 398.31879 203.3
[M+HCOO]- 460.31973 233.3
[M+CH3COO]- 474.33538 230.7
[M+Na-2H]- 436.29620 211.0
[M]+ 415.32098 219.1
[M]- 415.32208 219.1
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.