CID 62359470

3-[(2-hydroxycyclohexyl)carbamoyl]benzoicacid

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]+ 264.12303 159.9
[M+Na]+ 286.10497 168.9
[M+NH4]+ 281.14957 166.0
[M+K]+ 302.07891 164.8
[M-H]- 262.10847 161.8
[M+Na-2H]- 284.09042 164.2
[M]+ 263.11520 161.2
[M]- 263.11630 161.2
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.