CID 158789

Salcaprozic acid

Structural Information

Molecular Formula
C15H21NO4
SMILES
C1=CC=C(C(=C1)C(=O)NCCCCCCCC(=O)O)O
InChI
InChI=1S/C15H21NO4/c17-13-9-6-5-8-12(13)15(20)16-11-7-3-1-2-4-10-14(18)19/h5-6,8-9,17H,1-4,7,10-11H2,(H,16,20)(H,18,19)
InChIKey
NJEKDCUDSORUJA-UHFFFAOYSA-N
Compound name
8-[(2-hydroxybenzoyl)amino]octanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

43
References

2658
Patents

279.14706 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 167.0
[M+Na]+ 302.13628 175.2
[M+NH4]+ 297.18088 171.8
[M+K]+ 318.11022 170.5
[M-H]- 278.13978 166.4
[M+Na-2H]- 300.12173 169.6
[M]+ 279.14651 167.5
[M]- 279.14761 167.5
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