CID 182002

Cyclohexane, tetramethyl-

Structural Information

Molecular Formula
C10H20
SMILES
CC1(CCCCC1(C)C)C
InChI
InChI=1S/C10H20/c1-9(2)7-5-6-8-10(9,3)4/h5-8H2,1-4H3
InChIKey
SEKSWDGNGZWLDU-UHFFFAOYSA-N
Compound name
1,1,2,2-tetramethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

749
Patents

140.1565 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.16378 130.7
[M+Na]+ 163.14572 137.4
[M-H]- 139.14922 134.4
[M+NH4]+ 158.19032 156.6
[M+K]+ 179.11966 136.7
[M+H-H2O]+ 123.15376 127.2
[M+HCOO]- 185.15470 150.7
[M+CH3COO]- 199.17035 176.1
[M+Na-2H]- 161.13117 137.1
[M]+ 140.15595 127.7
[M]- 140.15705 127.7
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