CID 52190599

2044902-51-2

Structural Information

Molecular Formula
C9H12N2O
SMILES
C1CC2=C(C1)NC(=O)C(=C2)CN
InChI
InChI=1S/C9H12N2O/c10-5-7-4-6-2-1-3-8(6)11-9(7)12/h4H,1-3,5,10H2,(H,11,12)
InChIKey
ACEPGLSYFIHKNB-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

164.09496 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 132.7
[M+Na]+ 187.084178 141.4
[M-H]- 163.087684 134.4
[M+NH4]+ 182.128783 154.0
[M+K]+ 203.058118 137.5
[M+H-H2O]+ 147.092220 126.9
[M+HCOO]- 209.093161 154.6
[M+CH3COO]- 223.108811 176.8
[M+Na-2H]- 185.069626 138.2
[M]+ 164.09441142 129.2
[M]- 164.09550858 129.2
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