CID 90436294

Palmitoleoylglycinate

Structural Information

Molecular Formula
C18H33NO3
SMILES
CCCCCC/C=C\CCCCCCCC(=O)NCC(=O)O
InChI
InChI=1S/C18H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h7-8H,2-6,9-16H2,1H3,(H,19,20)(H,21,22)/b8-7-
InChIKey
YWPIANMBCWTPEE-FPLPWBNLSA-N
Compound name
2-[[(Z)-hexadec-9-enoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

311.24603 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.25331 183.6
[M+Na]+ 334.23525 184.9
[M-H]- 310.23875 180.3
[M+NH4]+ 329.27985 197.2
[M+K]+ 350.20919 181.2
[M+H-H2O]+ 294.24329 176.5
[M+HCOO]- 356.24423 202.2
[M+CH3COO]- 370.25988 209.2
[M+Na-2H]- 332.22070 181.5
[M]+ 311.24548 187.4
[M]- 311.24658 187.4
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