CID 171118620

N-(3-hydroxy-9z-hexadecenoyl) glycine

Structural Information

Molecular Formula
C18H33NO4
SMILES
CCCCCC/C=C\CCCCCC(CC(=O)NCC(=O)O)O
InChI
InChI=1S/C18H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)14-17(21)19-15-18(22)23/h7-8,16,20H,2-6,9-15H2,1H3,(H,19,21)(H,22,23)/b8-7-
InChIKey
SQFRXWVHVJRXII-FPLPWBNLSA-N
Compound name
2-[[(Z)-3-hydroxyhexadec-9-enoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.24097 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.24825 187.0
[M+Na]+ 350.23019 187.5
[M-H]- 326.23369 182.3
[M+NH4]+ 345.27479 199.0
[M+K]+ 366.20413 184.1
[M+H-H2O]+ 310.23823 179.9
[M+HCOO]- 372.23917 203.3
[M+CH3COO]- 386.25482 209.6
[M+Na-2H]- 348.21564 183.2
[M]+ 327.24042 189.6
[M]- 327.24152 189.6
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.