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

2309
Patents

308.3443 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.35158 188.9
[M+Na]+ 331.33352 188.1
[M-H]- 307.33702 189.3
[M+NH4]+ 326.37812 203.7
[M+K]+ 347.30746 184.6
[M+H-H2O]+ 291.34156 181.5
[M+HCOO]- 353.34250 202.6
[M+CH3COO]- 367.35815 214.5
[M+Na-2H]- 329.31897 183.8
[M]+ 308.34375 188.3
[M]- 308.34485 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