CID 24150

7529-16-0

Structural Information

Molecular Formula
C6H9NO
SMILES
C=CC1CCC(=O)N1
InChI
InChI=1S/C6H9NO/c1-2-5-3-4-6(8)7-5/h2,5H,1,3-4H2,(H,7,8)
InChIKey
OYVDXEVJHXWJAE-UHFFFAOYSA-N
Compound name
5-ethenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

560
Patents

111.06841 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 122.0
[M+Na]+ 134.057628 129.6
[M-H]- 110.061134 122.7
[M+NH4]+ 129.102233 144.5
[M+K]+ 150.031568 127.6
[M+H-H2O]+ 94.065670 116.8
[M+HCOO]- 156.066611 143.1
[M+CH3COO]- 170.082261 164.4
[M+Na-2H]- 132.043076 126.3
[M]+ 111.06786142 117.6
[M]- 111.06895858 117.6
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