CID 11083929

36281-70-6

Structural Information

Molecular Formula
C8H7NO
SMILES
C#CCN1C=CC=CC1=O
InChI
InChI=1S/C8H7NO/c1-2-6-9-7-4-3-5-8(9)10/h1,3-5,7H,6H2
InChIKey
GEXWKZJAHOEBHN-UHFFFAOYSA-N
Compound name
1-prop-2-ynylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

133.05276 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06004 124.1
[M+Na]+ 156.04198 135.4
[M-H]- 132.04548 125.1
[M+NH4]+ 151.08658 142.4
[M+K]+ 172.01592 131.9
[M+H-H2O]+ 116.05002 112.0
[M+HCOO]- 178.05096 142.2
[M+CH3COO]- 192.06661 180.8
[M+Na-2H]- 154.02743 131.1
[M]+ 133.05221 119.1
[M]- 133.05331 119.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe