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

6
Patents

192.08987 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.097146 140.3
[M+Na]+ 215.079088 144.9
[M-H]- 191.082594 143.9
[M+NH4]+ 210.123693 150.6
[M+K]+ 231.053028 145.9
[M+H-H2O]+ 175.087130 127.3
[M+HCOO]- 237.088071 160.4
[M+CH3COO]- 251.103721 185.9
[M+Na-2H]- 213.064536 145.3
[M]+ 192.08932142 146.0
[M]- 192.09041858 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