CID 85197100

Schembl17627887

Structural Information

Molecular Formula
C16H31NO4
SMILES
CCCCCCCCCCCC(CC(=O)NCC(=O)O)O
InChI
InChI=1S/C16H31NO4/c1-2-3-4-5-6-7-8-9-10-11-14(18)12-15(19)17-13-16(20)21/h14,18H,2-13H2,1H3,(H,17,19)(H,20,21)
InChIKey
JOZKALVPSJDERT-UHFFFAOYSA-N
Compound name
2-(3-hydroxytetradecanoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

301.2253 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.23258 179.4
[M+Na]+ 324.21452 180.5
[M-H]- 300.21802 175.0
[M+NH4]+ 319.25912 192.5
[M+K]+ 340.18846 178.1
[M+H-H2O]+ 284.22256 172.6
[M+HCOO]- 346.22350 196.2
[M+CH3COO]- 360.23915 205.1
[M+Na-2H]- 322.19997 176.6
[M]+ 301.22475 182.1
[M]- 301.22585 182.1
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