CID 28400163

6-[(cyclopropylmethyl)amino]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1CC1CNC2=NC=C(C=C2)C(=O)O
InChI
InChI=1S/C10H12N2O2/c13-10(14)8-3-4-9(12-6-8)11-5-7-1-2-7/h3-4,6-7H,1-2,5H2,(H,11,12)(H,13,14)
InChIKey
GXRUIYPLVQEHAQ-UHFFFAOYSA-N
Compound name
6-(cyclopropylmethylamino)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08987 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 140.9
[M+Na]+ 215.07909 149.5
[M-H]- 191.08259 146.0
[M+NH4]+ 210.12369 153.4
[M+K]+ 231.05303 145.7
[M+H-H2O]+ 175.08713 133.7
[M+HCOO]- 237.08807 163.7
[M+CH3COO]- 251.10372 186.2
[M+Na-2H]- 213.06454 147.1
[M]+ 192.08932 142.3
[M]- 192.09042 142.3
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

patents stripe