CID 53481663

Pentadecanoylglycine

Structural Information

Molecular Formula
C17H33NO3
SMILES
CCCCCCCCCCCCCCC(=O)NCC(=O)O
InChI
InChI=1S/C17H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(19)18-15-17(20)21/h2-15H2,1H3,(H,18,19)(H,20,21)
InChIKey
GFPGAMQTXLSWHM-UHFFFAOYSA-N
Compound name
2-(pentadecanoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

299.24603 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.25331 180.5
[M+Na]+ 322.23525 181.9
[M-H]- 298.23875 177.3
[M+NH4]+ 317.27985 194.6
[M+K]+ 338.20919 179.0
[M+H-H2O]+ 282.24329 173.5
[M+HCOO]- 344.24423 199.3
[M+CH3COO]- 358.25988 207.7
[M+Na-2H]- 320.22070 178.9
[M]+ 299.24548 184.7
[M]- 299.24658 184.7
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