CID 59050047

1-methyl-3-oxocyclopentanecarbonitrile

Structural Information

Molecular Formula
C7H9NO
SMILES
CC1(CCC(=O)C1)C#N
InChI
InChI=1S/C7H9NO/c1-7(5-8)3-2-6(9)4-7/h2-4H2,1H3
InChIKey
OOGKBJYFGKSSNR-UHFFFAOYSA-N
Compound name
1-methyl-3-oxocyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

123.06841 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 124.3
[M+Na]+ 146.05763 134.3
[M+NH4]+ 141.10223 130.9
[M+K]+ 162.03157 125.7
[M-H]- 122.06113 118.2
[M+Na-2H]- 144.04308 128.1
[M]+ 123.06786 123.1
[M]- 123.06896 123.1
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

patents stripe