CID 104189487

4-[(2-hydroxycyclohexyl)carbamoyl]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C13H16N2O4
SMILES
C1CCC(C(C1)NC(=O)C2=CC(=NC=C2)C(=O)O)O
InChI
InChI=1S/C13H16N2O4/c16-11-4-2-1-3-9(11)15-12(17)8-5-6-14-10(7-8)13(18)19/h5-7,9,11,16H,1-4H2,(H,15,17)(H,18,19)
InChIKey
WPJAQKSBWYQNNE-UHFFFAOYSA-N
Compound name
4-[(2-hydroxycyclohexyl)carbamoyl]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.111 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.118276 158.5
[M+Na]+ 287.100218 162.3
[M-H]- 263.103724 160.5
[M+NH4]+ 282.144823 171.4
[M+K]+ 303.074158 159.6
[M+H-H2O]+ 247.108260 150.7
[M+HCOO]- 309.109201 174.8
[M+CH3COO]- 323.124851 193.2
[M+Na-2H]- 285.085666 160.1
[M]+ 264.11045142 152.9
[M]- 264.11154858 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.