CID 45085810

1-(3-ethylidene-3,4,5,6-tetrahydro-2-pyridinyl)ethanone

Structural Information

Molecular Formula
C9H13NO
SMILES
C/C=C\1/CCCN=C1C(=O)C
InChI
InChI=1S/C9H13NO/c1-3-8-5-4-6-10-9(8)7(2)11/h3H,4-6H2,1-2H3/b8-3-
InChIKey
GAEQLABCUJPAHA-BAQGIRSFSA-N
Compound name
1-[(5Z)-5-ethylidene-3,4-dihydro-2H-pyridin-6-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.09972 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 132.3
[M+Na]+ 174.08894 139.0
[M-H]- 150.09244 134.2
[M+NH4]+ 169.13354 152.2
[M+K]+ 190.06288 137.3
[M+H-H2O]+ 134.09698 126.2
[M+HCOO]- 196.09792 152.3
[M+CH3COO]- 210.11357 176.2
[M+Na-2H]- 172.07439 136.7
[M]+ 151.09917 129.6
[M]- 151.10027 129.6
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.