CID 10035163

2-(cyclopropylamino)nicotinic acid

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C1CC1NC2=C(C=CC=N2)C(=O)O
InChI
InChI=1S/C9H10N2O2/c12-9(13)7-2-1-5-10-8(7)11-6-3-4-6/h1-2,5-6H,3-4H2,(H,10,11)(H,12,13)
InChIKey
QVDNJGOBMXAPSJ-UHFFFAOYSA-N
Compound name
2-(cyclopropylamino)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

178.07423 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 136.8
[M+Na]+ 201.063448 145.8
[M-H]- 177.066954 142.0
[M+NH4]+ 196.108053 149.7
[M+K]+ 217.037388 142.1
[M+H-H2O]+ 161.071490 129.7
[M+HCOO]- 223.072431 159.9
[M+CH3COO]- 237.088081 183.3
[M+Na-2H]- 199.048896 143.4
[M]+ 178.07368142 137.7
[M]- 178.07477858 137.7
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