CID 79551

4-amino-6,7-dihydro-3-methyl-5h-1-pyrindin-2-ol

Structural Information

Molecular Formula
C9H12N2O
SMILES
CC1=C(C2=C(CCC2)NC1=O)N
InChI
InChI=1S/C9H12N2O/c1-5-8(10)6-3-2-4-7(6)11-9(5)12/h2-4H2,1H3,(H3,10,11,12)
InChIKey
PSTOBDGUBPPQBF-UHFFFAOYSA-N
Compound name
4-amino-3-methyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.09496 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 132.9
[M+Na]+ 187.08418 142.5
[M-H]- 163.08768 135.0
[M+NH4]+ 182.12878 154.5
[M+K]+ 203.05812 138.6
[M+H-H2O]+ 147.09222 127.4
[M+HCOO]- 209.09316 154.7
[M+CH3COO]- 223.10881 178.0
[M+Na-2H]- 185.06963 137.6
[M]+ 164.09441 129.8
[M]- 164.09551 129.8
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

No patent data available for this compound.