CID 98930

Cyclopentanone-2-carbonitrile

Structural Information

Molecular Formula
C6H7NO
SMILES
C1CC(C(=O)C1)C#N
InChI
InChI=1S/C6H7NO/c7-4-5-2-1-3-6(5)8/h5H,1-3H2
InChIKey
IPMQSLPLJDKUPI-UHFFFAOYSA-N
Compound name
2-oxocyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

378
Patents

109.052765 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 122.6
[M+Na]+ 132.04198 132.7
[M+NH4]+ 127.08659 128.1
[M+K]+ 148.01592 125.6
[M-H]- 108.04549 116.6
[M+Na-2H]- 130.02743 125.1
[M]+ 109.05222 121.3
[M]- 109.05331 121.3
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