CID 150301971

3-methyl-5-oxopyrrolidine-3-carbonitrile

Structural Information

Molecular Formula
C6H8N2O
SMILES
CC1(CC(=O)NC1)C#N
InChI
InChI=1S/C6H8N2O/c1-6(3-7)2-5(9)8-4-6/h2,4H2,1H3,(H,8,9)
InChIKey
GJUJPNHKNJEGHM-UHFFFAOYSA-N
Compound name
3-methyl-5-oxopyrrolidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

124.06366 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 124.7
[M+Na]+ 147.05288 134.2
[M+NH4]+ 142.09748 130.4
[M+K]+ 163.02682 126.3
[M-H]- 123.05638 117.4
[M+Na-2H]- 145.03833 127.7
[M]+ 124.06311 123.0
[M]- 124.06421 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.