CID 6432486

Cis-1,1,3,5-tetramethylcyclohexane

Structural Information

Molecular Formula
C10H20
SMILES
C[C@@H]1C[C@@H](CC(C1)(C)C)C
InChI
InChI=1S/C10H20/c1-8-5-9(2)7-10(3,4)6-8/h8-9H,5-7H2,1-4H3/t8-,9+
InChIKey
WOJSMJIXPQLESQ-DTORHVGOSA-N
Compound name
cis-(3R,5S)-1,1,3,5-tetramethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1641
Patents

140.1565 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.16378 131.1
[M+Na]+ 163.14572 137.8
[M-H]- 139.14922 134.7
[M+NH4]+ 158.19032 155.4
[M+K]+ 179.11966 136.9
[M+H-H2O]+ 123.15376 127.1
[M+HCOO]- 185.15470 151.1
[M+CH3COO]- 199.17035 177.4
[M+Na-2H]- 161.13117 135.8
[M]+ 140.15595 128.1
[M]- 140.15705 128.1
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

No patent data available for this compound.