CID 14205341

15297-59-3

Structural Information

Molecular Formula
C7H11NO
SMILES
CC1CCN(C1=O)C=C
InChI
InChI=1S/C7H11NO/c1-3-8-5-4-6(2)7(8)9/h3,6H,1,4-5H2,2H3
InChIKey
UBPXWZDJZFZKGH-UHFFFAOYSA-N
Compound name
1-ethenyl-3-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4636
Patents

125.08406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 124.7
[M+Na]+ 148.07328 133.3
[M-H]- 124.07678 127.1
[M+NH4]+ 143.11788 147.8
[M+K]+ 164.04722 131.9
[M+H-H2O]+ 108.08132 119.5
[M+HCOO]- 170.08226 147.0
[M+CH3COO]- 184.09791 171.3
[M+Na-2H]- 146.05873 128.4
[M]+ 125.08351 123.0
[M]- 125.08461 123.0
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