CID 117385

Cyclohexene, 4-(1-ethoxy-1-methylethyl)-1-methyl-

Structural Information

Molecular Formula
C12H22O
SMILES
CCOC(C)(C)C1CCC(=CC1)C
InChI
InChI=1S/C12H22O/c1-5-13-12(3,4)11-8-6-10(2)7-9-11/h6,11H,5,7-9H2,1-4H3
InChIKey
LWKGCNDRHJSSMK-UHFFFAOYSA-N
Compound name
4-(2-ethoxypropan-2-yl)-1-methylcyclohexene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

182.16707 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.17435 143.6
[M+Na]+ 205.15629 149.1
[M-H]- 181.15979 146.7
[M+NH4]+ 200.20089 164.0
[M+K]+ 221.13023 148.0
[M+H-H2O]+ 165.16433 138.5
[M+HCOO]- 227.16527 163.0
[M+CH3COO]- 241.18092 184.7
[M+Na-2H]- 203.14174 148.3
[M]+ 182.16652 143.2
[M]- 182.16762 143.2
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

patents stripe