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]+ 193.097146 140.9
[M+Na]+ 215.079088 149.5
[M-H]- 191.082594 146.0
[M+NH4]+ 210.123693 153.4
[M+K]+ 231.053028 145.7
[M+H-H2O]+ 175.087130 133.7
[M+HCOO]- 237.088071 163.7
[M+CH3COO]- 251.103721 186.2
[M+Na-2H]- 213.064536 147.1
[M]+ 192.08932142 142.3
[M]- 192.09041858 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