CID 28400038

6-(cyclopropylamino)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C1CC1NC2=NC=C(C=C2)C(=O)O
InChI
InChI=1S/C9H10N2O2/c12-9(13)6-1-4-8(10-5-6)11-7-2-3-7/h1,4-5,7H,2-3H2,(H,10,11)(H,12,13)
InChIKey
BJWSFKCKOOIPSA-UHFFFAOYSA-N
Compound name
6-(cyclopropylamino)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

178.07423 Da
Monoisotopic Mass

1.3
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

literature stripe

Patent stripe

patents stripe