CID 10749242

3-cyclohexylpropanenitrile

Structural Information

Molecular Formula
C9H15N
SMILES
C1CCC(CC1)CCC#N
InChI
InChI=1S/C9H15N/c10-8-4-7-9-5-2-1-3-6-9/h9H,1-7H2
InChIKey
DFCILIYDUNACSC-UHFFFAOYSA-N
Compound name
3-cyclohexylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

137.12045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.12773 134.3
[M+Na]+ 160.10967 144.9
[M+NH4]+ 155.15427 140.3
[M+K]+ 176.08361 134.7
[M-H]- 136.11317 129.6
[M+Na-2H]- 158.09512 137.6
[M]+ 137.11990 133.6
[M]- 137.12100 133.6
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