CID 62414214

2-(cyclobutylamino)pyridine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1CC(C1)NC2=NC=CC(=C2)C(=O)O
InChI
InChI=1S/C10H12N2O2/c13-10(14)7-4-5-11-9(6-7)12-8-2-1-3-8/h4-6,8H,1-3H2,(H,11,12)(H,13,14)
InChIKey
FWDJVEVMSAYCLD-UHFFFAOYSA-N
Compound name
2-(cyclobutylamino)pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

192.08987 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 140.3
[M+Na]+ 215.07909 144.9
[M-H]- 191.08259 143.9
[M+NH4]+ 210.12369 150.6
[M+K]+ 231.05303 145.9
[M+H-H2O]+ 175.08713 127.3
[M+HCOO]- 237.08807 160.4
[M+CH3COO]- 251.10372 185.9
[M+Na-2H]- 213.06454 145.3
[M]+ 192.08932 146.0
[M]- 192.09042 146.0
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