CID 84762164

2-(5-oxopyrrolidin-3-yl)acetonitrile

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1C(CNC1=O)CC#N
InChI
InChI=1S/C6H8N2O/c7-2-1-5-3-6(9)8-4-5/h5H,1,3-4H2,(H,8,9)
InChIKey
LHBWKHZXTZCMRG-UHFFFAOYSA-N
Compound name
2-(5-oxopyrrolidin-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

124.06366 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 127.2
[M+Na]+ 147.05288 136.5
[M+NH4]+ 142.09748 131.5
[M+K]+ 163.02682 129.9
[M-H]- 123.05638 119.9
[M+Na-2H]- 145.03833 128.6
[M]+ 124.06311 125.3
[M]- 124.06421 125.3
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.