CID 56972692

3-cyclopropylpyridin-2(1h)-one

Structural Information

Molecular Formula
C8H9NO
SMILES
C1CC1C2=CC=CNC2=O
InChI
InChI=1S/C8H9NO/c10-8-7(6-3-4-6)2-1-5-9-8/h1-2,5-6H,3-4H2,(H,9,10)
InChIKey
AUNWUONIFCPUOD-UHFFFAOYSA-N
Compound name
3-cyclopropyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

135.06842 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.075696 126.9
[M+Na]+ 158.057638 137.4
[M-H]- 134.061144 132.2
[M+NH4]+ 153.102243 142.0
[M+K]+ 174.031578 133.7
[M+H-H2O]+ 118.065680 120.2
[M+HCOO]- 180.066621 150.0
[M+CH3COO]- 194.082271 173.0
[M+Na-2H]- 156.043086 134.7
[M]+ 135.06787142 127.3
[M]- 135.06896858 127.3
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