CID 64209974

1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonitrile

Structural Information

Molecular Formula
C9H12N2O
SMILES
C1CC1CN2CC(CC2=O)C#N
InChI
InChI=1S/C9H12N2O/c10-4-8-3-9(12)11(6-8)5-7-1-2-7/h7-8H,1-3,5-6H2
InChIKey
PZHRRRAURZGFNL-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.09496 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 132.1
[M+Na]+ 187.084178 147.3
[M-H]- 163.087684 139.0
[M+NH4]+ 182.128783 148.4
[M+K]+ 203.058118 140.6
[M+H-H2O]+ 147.092220 121.6
[M+HCOO]- 209.093161 152.1
[M+CH3COO]- 223.108811 193.4
[M+Na-2H]- 185.069626 136.9
[M]+ 164.09441142 129.8
[M]- 164.09550858 129.8
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.