CID 55250338

Trans-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-/m0/s1
InChIKey
WOJSMJIXPQLESQ-IUCAKERBSA-N
Compound name
trans-(3S,5S)-1,1,3,5-tetramethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1653
Patents

140.1565 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.163776 131.1
[M+Na]+ 163.145718 137.8
[M-H]- 139.149224 134.7
[M+NH4]+ 158.190323 155.4
[M+K]+ 179.119658 136.9
[M+H-H2O]+ 123.153760 127.1
[M+HCOO]- 185.154701 151.1
[M+CH3COO]- 199.170351 177.4
[M+Na-2H]- 161.131166 135.8
[M]+ 140.15595142 128.1
[M]- 140.15704858 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

literature stripe

Patent stripe

patents stripe