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]+ 138.091336 130.3
[M+Na]+ 160.073278 138.8
[M-H]- 136.076784 135.0
[M+NH4]+ 155.117883 145.1
[M+K]+ 176.047218 135.6
[M+H-H2O]+ 120.081320 123.5
[M+HCOO]- 182.082261 150.5
[M+CH3COO]- 196.097911 173.6
[M+Na-2H]- 158.058726 136.1
[M]+ 137.08351142 127.9
[M]- 137.08460858 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.