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
3
Annotation Hits

0
References

1
Patents

182.16707 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.174346 143.6
[M+Na]+ 205.156288 149.1
[M-H]- 181.159794 146.7
[M+NH4]+ 200.200893 164.0
[M+K]+ 221.130228 148.0
[M+H-H2O]+ 165.164330 138.5
[M+HCOO]- 227.165271 163.0
[M+CH3COO]- 241.180921 184.7
[M+Na-2H]- 203.141736 148.3
[M]+ 182.16652142 143.2
[M]- 182.16761858 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