CID 544194

Propanedinitrile, cyclohexyl(2-methylcyclohexyl)-

Structural Information

Molecular Formula
C16H24N2
SMILES
CC1CCCCC1C(C#N)(C#N)C2CCCCC2
InChI
InChI=1S/C16H24N2/c1-13-7-5-6-10-15(13)16(11-17,12-18)14-8-3-2-4-9-14/h13-15H,2-10H2,1H3
InChIKey
DSBUDFYXGKAXOI-UHFFFAOYSA-N
Compound name
2-cyclohexyl-2-(2-methylcyclohexyl)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.19395 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.201226 167.6
[M+Na]+ 267.183168 174.3
[M-H]- 243.186674 171.7
[M+NH4]+ 262.227773 178.9
[M+K]+ 283.157108 167.8
[M+H-H2O]+ 227.191210 152.6
[M+HCOO]- 289.192151 174.1
[M+CH3COO]- 303.207801 222.4
[M+Na-2H]- 265.168616 167.2
[M]+ 244.19340142 154.0
[M]- 244.19449858 154.0
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.