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 145.1
[M+Na]+ 185.10491 153.6
[M-H]- 161.10841 148.6
[M+NH4]+ 180.14951 159.0
[M+K]+ 201.07885 149.8
[M+H-H2O]+ 145.11295 130.8
[M+HCOO]- 207.11389 155.9
[M+CH3COO]- 221.12954 212.8
[M+Na-2H]- 183.09036 147.3
[M]+ 162.11514 135.0
[M]- 162.11624 135.0
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.