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

104
Patents

137.12045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.127726 129.0
[M+Na]+ 160.109668 136.1
[M-H]- 136.113174 131.7
[M+NH4]+ 155.154273 148.5
[M+K]+ 176.083608 133.3
[M+H-H2O]+ 120.117710 117.3
[M+HCOO]- 182.118651 146.3
[M+CH3COO]- 196.134301 186.8
[M+Na-2H]- 158.095116 134.5
[M]+ 137.11990142 120.3
[M]- 137.12099858 120.3
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