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]+ 165.10224 132.1
[M+Na]+ 187.08418 147.3
[M-H]- 163.08768 139.0
[M+NH4]+ 182.12878 148.4
[M+K]+ 203.05812 140.6
[M+H-H2O]+ 147.09222 121.6
[M+HCOO]- 209.09316 152.1
[M+CH3COO]- 223.10881 193.4
[M+Na-2H]- 185.06963 136.9
[M]+ 164.09441 129.8
[M]- 164.09551 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.