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]+ 265.11828 158.5
[M+Na]+ 287.10022 162.3
[M-H]- 263.10372 160.5
[M+NH4]+ 282.14482 171.4
[M+K]+ 303.07416 159.6
[M+H-H2O]+ 247.10826 150.7
[M+HCOO]- 309.10920 174.8
[M+CH3COO]- 323.12485 193.2
[M+Na-2H]- 285.08567 160.1
[M]+ 264.11045 152.9
[M]- 264.11155 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.