CID 6917

88-12-0

Structural Information

Molecular Formula
C6H9NO
SMILES
C=CN1CCCC1=O
InChI
InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2
InChIKey
WHNWPMSKXPGLAX-UHFFFAOYSA-N
Compound name
1-ethenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

4771
References

142945
Patents

111.06841 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 120.9
[M+Na]+ 134.057628 129.0
[M-H]- 110.061134 123.1
[M+NH4]+ 129.102233 144.2
[M+K]+ 150.031568 127.9
[M+H-H2O]+ 94.065670 115.5
[M+HCOO]- 156.066611 143.6
[M+CH3COO]- 170.082261 167.1
[M+Na-2H]- 132.043076 125.7
[M]+ 111.06786142 118.5
[M]- 111.06895858 118.5
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