CID 46898843

1,2-diethyl-1-hexylcyclohexane

Structural Information

Molecular Formula
C16H32
SMILES
CCCCCCC1(CCCCC1CC)CC
InChI
InChI=1S/C16H32/c1-4-7-8-10-13-16(6-3)14-11-9-12-15(16)5-2/h15H,4-14H2,1-3H3
InChIKey
VIELUKCWCINATC-UHFFFAOYSA-N
Compound name
1,2-diethyl-1-hexylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

224.2504 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.25768 160.3
[M+Na]+ 247.23962 170.7
[M+NH4]+ 242.28422 170.8
[M+K]+ 263.21356 160.1
[M-H]- 223.24312 163.1
[M+Na-2H]- 245.22507 166.0
[M]+ 224.24985 162.8
[M]- 224.25095 162.8
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

patents stripe