CID 62359470

1285690-85-8

Structural Information

Molecular Formula
C14H17NO4
SMILES
C1CCC(C(C1)NC(=O)C2=CC(=CC=C2)C(=O)O)O
InChI
InChI=1S/C14H17NO4/c16-12-7-2-1-6-11(12)15-13(17)9-4-3-5-10(8-9)14(18)19/h3-5,8,11-12,16H,1-2,6-7H2,(H,15,17)(H,18,19)
InChIKey
DCNHBIIFRMKENY-UHFFFAOYSA-N
Compound name
3-[(2-hydroxycyclohexyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.11575 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.123026 158.7
[M+Na]+ 286.104968 162.1
[M-H]- 262.108474 161.9
[M+NH4]+ 281.149573 172.9
[M+K]+ 302.078908 159.3
[M+H-H2O]+ 246.113010 151.6
[M+HCOO]- 308.113951 175.9
[M+CH3COO]- 322.129601 193.4
[M+Na-2H]- 284.090416 159.6
[M]+ 263.11520142 152.9
[M]- 263.11629858 152.9
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.