CID 121207368

4-ethynylpyrrolidin-2-one

Structural Information

Molecular Formula
C6H7NO
SMILES
C#CC1CC(=O)NC1
InChI
InChI=1S/C6H7NO/c1-2-5-3-6(8)7-4-5/h1,5H,3-4H2,(H,7,8)
InChIKey
VPFWRGMDQQGKOC-UHFFFAOYSA-N
Compound name
4-ethynylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

109.052765 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 122.7
[M+Na]+ 132.04198 132.7
[M+NH4]+ 127.08659 127.3
[M+K]+ 148.01592 126.1
[M-H]- 108.04549 114.8
[M+Na-2H]- 130.02743 124.0
[M]+ 109.05222 120.8
[M]- 109.05331 120.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe