CID 117339

Cyclohexane, 1-methoxy-1-methyl-4-(1-methylethenyl)-

Structural Information

Molecular Formula
C11H20O
SMILES
CC(=C)C1CCC(CC1)(C)OC
InChI
InChI=1S/C11H20O/c1-9(2)10-5-7-11(3,12-4)8-6-10/h10H,1,5-8H2,2-4H3
InChIKey
OLQOOKYEEAQGPU-UHFFFAOYSA-N
Compound name
1-methoxy-1-methyl-4-prop-1-en-2-ylcyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

168.15141 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 139.1
[M+Na]+ 191.140628 144.4
[M-H]- 167.144134 142.1
[M+NH4]+ 186.185233 161.7
[M+K]+ 207.114568 143.5
[M+H-H2O]+ 151.148670 134.6
[M+HCOO]- 213.149611 158.1
[M+CH3COO]- 227.165261 181.2
[M+Na-2H]- 189.126076 142.6
[M]+ 168.15086142 136.2
[M]- 168.15195858 136.2
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