CID 10953488

2-cyclohexylacetonitrile

Structural Information

Molecular Formula
C8H13N
SMILES
C1CCC(CC1)CC#N
InChI
InChI=1S/C8H13N/c9-7-6-8-4-2-1-3-5-8/h8H,1-6H2
InChIKey
MXFPACNADGXIQY-UHFFFAOYSA-N
Compound name
2-cyclohexylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

511
Patents

123.1048 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.112076 125.1
[M+Na]+ 146.094018 132.6
[M-H]- 122.097524 127.9
[M+NH4]+ 141.138623 145.1
[M+K]+ 162.067958 130.0
[M+H-H2O]+ 106.102060 113.6
[M+HCOO]- 168.103001 142.6
[M+CH3COO]- 182.118651 184.1
[M+Na-2H]- 144.079466 131.0
[M]+ 123.10425142 116.1
[M]- 123.10534858 116.1
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