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]+ 125.070936 123.7
[M+Na]+ 147.052878 133.0
[M-H]- 123.056384 124.3
[M+NH4]+ 142.097483 143.4
[M+K]+ 163.026818 130.4
[M+H-H2O]+ 107.060920 111.4
[M+HCOO]- 169.061861 141.3
[M+CH3COO]- 183.077511 180.3
[M+Na-2H]- 145.038326 128.0
[M]+ 124.06311142 115.4
[M]- 124.06420858 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.