CID 453669

Dodecyl-n-me-cephalin

Structural Information

Molecular Formula
C15H34NO4P
SMILES
CCCCCCCCCCCCOP(=O)(O)OCCNC
InChI
InChI=1S/C15H34NO4P/c1-3-4-5-6-7-8-9-10-11-12-14-19-21(17,18)20-15-13-16-2/h16H,3-15H2,1-2H3,(H,17,18)
InChIKey
DGEQENOSOTUARM-UHFFFAOYSA-N
Compound name
dodecyl 2-(methylamino)ethyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

323.22253 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.22981 186.9
[M+Na]+ 346.21175 189.0
[M-H]- 322.21525 182.7
[M+NH4]+ 341.25635 200.7
[M+K]+ 362.18569 187.0
[M+H-H2O]+ 306.21979 177.8
[M+HCOO]- 368.22073 211.8
[M+CH3COO]- 382.23638 211.1
[M+Na-2H]- 344.19720 186.3
[M]+ 323.22198 195.0
[M]- 323.22308 195.0
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

patents stripe