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

429
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 159.7
[M+Na]+ 247.23962 162.9
[M-H]- 223.24312 161.7
[M+NH4]+ 242.28422 180.2
[M+K]+ 263.21356 160.3
[M+H-H2O]+ 207.24766 154.1
[M+HCOO]- 269.24860 177.6
[M+CH3COO]- 283.26425 194.5
[M+Na-2H]- 245.22507 161.6
[M]+ 224.24985 158.5
[M]- 224.25095 158.5
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