CID 75897

1-(allyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C7H11NO
SMILES
C=CCN1CCCC1=O
InChI
InChI=1S/C7H11NO/c1-2-5-8-6-3-4-7(8)9/h2H,1,3-6H2
InChIKey
DURRSEGFTCZKMK-UHFFFAOYSA-N
Compound name
1-prop-2-enylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17783
Patents

125.08406 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 125.6
[M+Na]+ 148.07328 133.2
[M-H]- 124.07678 127.5
[M+NH4]+ 143.11788 148.3
[M+K]+ 164.04722 131.8
[M+H-H2O]+ 108.08132 119.9
[M+HCOO]- 170.08226 147.9
[M+CH3COO]- 184.09791 170.1
[M+Na-2H]- 146.05873 129.8
[M]+ 125.08351 123.5
[M]- 125.08461 123.5
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