CID 21941690

3-oxocyclopentanecarbonitrile

Structural Information

Molecular Formula
C6H7NO
SMILES
C1CC(=O)CC1C#N
InChI
InChI=1S/C6H7NO/c7-4-5-1-2-6(8)3-5/h5H,1-3H2
InChIKey
RJDDBRGASHENKL-UHFFFAOYSA-N
Compound name
3-oxocyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

76
Patents

109.052765 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 120.2
[M+Na]+ 132.04198 130.3
[M-H]- 108.04549 123.8
[M+NH4]+ 127.08659 142.5
[M+K]+ 148.01592 128.1
[M+H-H2O]+ 92.050025 109.0
[M+HCOO]- 154.05097 140.5
[M+CH3COO]- 168.06662 180.4
[M+Na-2H]- 130.02743 125.2
[M]+ 109.05222 113.4
[M]- 109.05331 113.4
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.