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
2
Annotation Hits

1
References

425
Patents

111.06841 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 123.5
[M+Na]+ 134.05763 133.3
[M+NH4]+ 129.10223 131.4
[M+K]+ 150.03157 129.6
[M-H]- 110.06113 123.3
[M+Na-2H]- 132.04308 127.2
[M]+ 111.06786 124.4
[M]- 111.06896 124.4
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