CID 10909493

3-methylene-2-pyrrolidinone

Structural Information

Molecular Formula
C5H7NO
SMILES
C=C1CCNC1=O
InChI
InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h1-3H2,(H,6,7)
InChIKey
FEFAOCZERLVSIS-UHFFFAOYSA-N
Compound name
3-methylidenepyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

626
Patents

97.052765 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.060041 117.4
[M+Na]+ 120.04198 125.5
[M-H]- 96.045489 118.3
[M+NH4]+ 115.08659 140.5
[M+K]+ 136.01592 123.6
[M+H-H2O]+ 80.050025 112.4
[M+HCOO]- 142.05097 138.9
[M+CH3COO]- 156.06662 161.3
[M+Na-2H]- 118.02743 122.2
[M]+ 97.052216 112.7
[M]- 97.053314 112.7
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