CID 22213910

1-ethyl-trans-1,3-dimethycyclohexane

Structural Information

Molecular Formula
C10H20
SMILES
CC[C@]1(CCC[C@H](C1)C)C
InChI
InChI=1S/C10H20/c1-4-10(3)7-5-6-9(2)8-10/h9H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKey
YLZKVXHQMPWDBJ-ZJUUUORDSA-N
Compound name
(1S,3R)-1-ethyl-1,3-dimethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.1565 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.16378 132.5
[M+Na]+ 163.14572 138.2
[M-H]- 139.14922 135.7
[M+NH4]+ 158.19032 156.4
[M+K]+ 179.11966 137.2
[M+H-H2O]+ 123.15376 128.1
[M+HCOO]- 185.15470 152.4
[M+CH3COO]- 199.17035 176.3
[M+Na-2H]- 161.13117 137.7
[M]+ 140.15595 129.1
[M]- 140.15705 129.1
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.