CID 15110349

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

Structural Information

Molecular Formula
C7H9NO
SMILES
C=CC1CC(=O)C=CN1
InChI
InChI=1S/C7H9NO/c1-2-6-5-7(9)3-4-8-6/h2-4,6,8H,1,5H2
InChIKey
VHKMSGHGUHCVEN-UHFFFAOYSA-N
Compound name
2-ethenyl-2,3-dihydro-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.06841 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 123.8
[M+Na]+ 146.05763 131.2
[M-H]- 122.06113 124.5
[M+NH4]+ 141.10223 144.1
[M+K]+ 162.03157 128.6
[M+H-H2O]+ 106.06567 118.3
[M+HCOO]- 168.06661 144.0
[M+CH3COO]- 182.08226 167.3
[M+Na-2H]- 144.04308 130.0
[M]+ 123.06786 119.2
[M]- 123.06896 119.2
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

No patent data available for this compound.