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 123.7
[M+Na]+ 147.05288 133.0
[M-H]- 123.05638 124.3
[M+NH4]+ 142.09748 143.4
[M+K]+ 163.02682 130.4
[M+H-H2O]+ 107.06092 111.4
[M+HCOO]- 169.06186 141.3
[M+CH3COO]- 183.07751 180.3
[M+Na-2H]- 145.03833 128.0
[M]+ 124.06311 115.4
[M]- 124.06421 115.4
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.