CID 6432050

Cyclooctane, 1,4-dimethyl-, trans-

Structural Information

Molecular Formula
C10H20
SMILES
C[C@@H]1CCCC[C@H](CC1)C
InChI
InChI=1S/C10H20/c1-9-5-3-4-6-10(2)8-7-9/h9-10H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKey
GUOSBMCHCJXBMH-NXEZZACHSA-N
Compound name
trans-(1R,4R)-1,4-dimethylcyclooctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

140.1565 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.163776 143.5
[M+Na]+ 163.145718 147.5
[M-H]- 139.149224 145.2
[M+NH4]+ 158.190323 153.4
[M+K]+ 179.119658 148.1
[M+H-H2O]+ 123.153760 140.4
[M+HCOO]- 185.154701 152.4
[M+CH3COO]- 199.170351 219.3
[M+Na-2H]- 161.131166 143.7
[M]+ 140.15595142 141.4
[M]- 140.15704858 141.4
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.