CID 105432457

3-amino-1-cyclobutyl-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C9H12N2O
SMILES
C1CC(C1)N2C=CC=C(C2=O)N
InChI
InChI=1S/C9H12N2O/c10-8-5-2-6-11(9(8)12)7-3-1-4-7/h2,5-7H,1,3-4,10H2
InChIKey
HQFFZPVZESIPJQ-UHFFFAOYSA-N
Compound name
3-amino-1-cyclobutylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

164.09496 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 131.8
[M+Na]+ 187.08418 138.8
[M-H]- 163.08768 136.9
[M+NH4]+ 182.12878 144.4
[M+K]+ 203.05812 139.5
[M+H-H2O]+ 147.09222 119.5
[M+HCOO]- 209.09316 154.0
[M+CH3COO]- 223.10881 183.1
[M+Na-2H]- 185.06963 137.5
[M]+ 164.09441 137.8
[M]- 164.09551 137.8
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