CID 13229976

57275-83-9

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1CC(=O)N(C1)CC#N
InChI
InChI=1S/C6H8N2O/c7-3-5-8-4-1-2-6(8)9/h1-2,4-5H2
InChIKey
FQUDPVDIXKVBNY-UHFFFAOYSA-N
Compound name
2-(2-oxopyrrolidin-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

124.06366 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 122.0
[M+Na]+ 147.05288 131.6
[M-H]- 123.05638 123.8
[M+NH4]+ 142.09748 142.3
[M+K]+ 163.02682 129.9
[M+H-H2O]+ 107.06092 109.4
[M+HCOO]- 169.06186 141.0
[M+CH3COO]- 183.07751 182.7
[M+Na-2H]- 145.03833 126.9
[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

literature stripe

Patent stripe

patents stripe