CID 145915549

2-cyclopropyl-1,2,3,4-tetrahydropyridin-4-one

Structural Information

Molecular Formula
C8H11NO
SMILES
C1CC1C2CC(=O)C=CN2
InChI
InChI=1S/C8H11NO/c10-7-3-4-9-8(5-7)6-1-2-6/h3-4,6,8-9H,1-2,5H2
InChIKey
WCARCSWMLCMISQ-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2,3-dihydro-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.08406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 130.3
[M+Na]+ 160.07328 138.8
[M-H]- 136.07678 135.0
[M+NH4]+ 155.11788 145.1
[M+K]+ 176.04722 135.6
[M+H-H2O]+ 120.08132 123.5
[M+HCOO]- 182.08226 150.5
[M+CH3COO]- 196.09791 173.6
[M+Na-2H]- 158.05873 136.1
[M]+ 137.08351 127.9
[M]- 137.08461 127.9
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.