CID 107306

3-(2-oxocyclopentyl)propanenitrile

Structural Information

Molecular Formula
C8H11NO
SMILES
C1CC(C(=O)C1)CCC#N
InChI
InChI=1S/C8H11NO/c9-6-2-4-7-3-1-5-8(7)10/h7H,1-5H2
InChIKey
UVVOIPOAZZQJDF-UHFFFAOYSA-N
Compound name
3-(2-oxocyclopentyl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

75
Patents

137.08406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 128.3
[M+Na]+ 160.073278 137.6
[M-H]- 136.076784 131.5
[M+NH4]+ 155.117883 149.5
[M+K]+ 176.047218 134.9
[M+H-H2O]+ 120.081320 116.7
[M+HCOO]- 182.082261 148.0
[M+CH3COO]- 196.097911 185.8
[M+Na-2H]- 158.058726 132.3
[M]+ 137.08351142 122.1
[M]- 137.08460858 122.1
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