CID 522555

Cyclohexane, 1,1'-(1,2-dimethyl-1,2-ethanediyl)bis-

Structural Information

Molecular Formula
C16H30
SMILES
CC(C1CCCCC1)C(C)C2CCCCC2
InChI
InChI=1S/C16H30/c1-13(15-9-5-3-6-10-15)14(2)16-11-7-4-8-12-16/h13-16H,3-12H2,1-2H3
InChIKey
CKYRHDXTXMYCMX-UHFFFAOYSA-N
Compound name
3-cyclohexylbutan-2-ylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

222.23476 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.242036 159.5
[M+Na]+ 245.223978 158.3
[M-H]- 221.227484 163.2
[M+NH4]+ 240.268583 176.6
[M+K]+ 261.197918 156.2
[M+H-H2O]+ 205.232020 152.1
[M+HCOO]- 267.232961 172.3
[M+CH3COO]- 281.248611 192.1
[M+Na-2H]- 243.209426 157.7
[M]+ 222.23421142 149.2
[M]- 222.23530858 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe