CID 15775115

1,3-bis(2-ethylhexyl)cyclohexane

Structural Information

Molecular Formula
C22H44
SMILES
CCCCC(CC)CC1CCCC(C1)CC(CC)CCCC
InChI
InChI=1S/C22H44/c1-5-9-12-19(7-3)16-21-14-11-15-22(18-21)17-20(8-4)13-10-6-2/h19-22H,5-18H2,1-4H3
InChIKey
DFIIJEHQGUKXKU-UHFFFAOYSA-N
Compound name
1,3-bis(2-ethylhexyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3005
Patents

308.3443 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.351576 188.9
[M+Na]+ 331.333518 188.1
[M-H]- 307.337024 189.3
[M+NH4]+ 326.378123 203.7
[M+K]+ 347.307458 184.6
[M+H-H2O]+ 291.341560 181.5
[M+HCOO]- 353.342501 202.6
[M+CH3COO]- 367.358151 214.5
[M+Na-2H]- 329.318966 183.8
[M]+ 308.34375142 188.3
[M]- 308.34484858 188.3
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