CID 6917

N-vinyl-2-pyrrolidone

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
6
Annotation Hits

4748
References

321562
Patents

111.06841 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 123.0
[M+Na]+ 134.05763 133.5
[M+NH4]+ 129.10223 131.3
[M+K]+ 150.03157 129.4
[M-H]- 110.06113 123.4
[M+Na-2H]- 132.04308 127.4
[M]+ 111.06786 124.3
[M]- 111.06896 124.3
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