CID 21719757

1-(2-methoxypropan-2-yl)-4-methylcyclohexane

Structural Information

Molecular Formula
C11H22O
SMILES
CC1CCC(CC1)C(C)(C)OC
InChI
InChI=1S/C11H22O/c1-9-5-7-10(8-6-9)11(2,3)12-4/h9-10H,5-8H2,1-4H3
InChIKey
WKXIJKLSASOAHU-UHFFFAOYSA-N
Compound name
1-(2-methoxypropan-2-yl)-4-methylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

170.16707 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.174346 140.9
[M+Na]+ 193.156288 145.8
[M-H]- 169.159794 143.7
[M+NH4]+ 188.200893 161.6
[M+K]+ 209.130228 145.1
[M+H-H2O]+ 153.164330 135.9
[M+HCOO]- 215.165271 159.1
[M+CH3COO]- 229.180921 182.1
[M+Na-2H]- 191.141736 145.1
[M]+ 170.16652142 138.6
[M]- 170.16761858 138.6
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