CID 3526948

1,2-cyclohexanediacetonitrile

Structural Information

Molecular Formula
C10H14N2
SMILES
C1CCC(C(C1)CC#N)CC#N
InChI
InChI=1S/C10H14N2/c11-7-5-9-3-1-2-4-10(9)6-8-12/h9-10H,1-6H2
InChIKey
FGLZWKOCMIRVFJ-UHFFFAOYSA-N
Compound name
2-[2-(cyanomethyl)cyclohexyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.11569 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.12297 165.5
[M+Na]+ 185.10491 173.2
[M+NH4]+ 180.14951 166.8
[M+K]+ 201.07885 162.3
[M-H]- 161.10841 155.9
[M+Na-2H]- 183.09036 164.2
[M]+ 162.11514 162.6
[M]- 162.11624 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.