CID 151008

N-palmitoylglycine

Structural Information

Molecular Formula
C18H35NO3
SMILES
CCCCCCCCCCCCCCCC(=O)NCC(=O)O
InChI
InChI=1S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h2-16H2,1H3,(H,19,20)(H,21,22)
InChIKey
KVTFEOAKFFQCCX-UHFFFAOYSA-N
Compound name
2-(hexadecanoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

27
References

2051
Patents

313.2617 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.26898 184.9
[M+Na]+ 336.25092 185.9
[M-H]- 312.25442 181.6
[M+NH4]+ 331.29552 198.4
[M+K]+ 352.22486 182.8
[M+H-H2O]+ 296.25896 177.7
[M+HCOO]- 358.25990 203.4
[M+CH3COO]- 372.27555 210.6
[M+Na-2H]- 334.23637 182.8
[M]+ 313.26115 189.5
[M]- 313.26225 189.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe