CID 138246

Cyclohexanebutyronitrile

Structural Information

Molecular Formula
C10H17N
SMILES
C1CCC(CC1)CCCC#N
InChI
InChI=1S/C10H17N/c11-9-5-4-8-10-6-2-1-3-7-10/h10H,1-8H2
InChIKey
IUQQLRKTOFNJPZ-UHFFFAOYSA-N
Compound name
4-cyclohexylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

151.1361 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.14338 132.9
[M+Na]+ 174.12532 139.7
[M-H]- 150.12882 135.4
[M+NH4]+ 169.16992 152.0
[M+K]+ 190.09926 136.7
[M+H-H2O]+ 134.13336 121.1
[M+HCOO]- 196.13430 149.9
[M+CH3COO]- 210.14995 189.5
[M+Na-2H]- 172.11077 137.9
[M]+ 151.13555 124.6
[M]- 151.13665 124.6
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