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

24
Patents

170.16707 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.17435 140.9
[M+Na]+ 193.15629 145.8
[M-H]- 169.15979 143.7
[M+NH4]+ 188.20089 161.6
[M+K]+ 209.13023 145.1
[M+H-H2O]+ 153.16433 135.9
[M+HCOO]- 215.16527 159.1
[M+CH3COO]- 229.18092 182.1
[M+Na-2H]- 191.14174 145.1
[M]+ 170.16652 138.6
[M]- 170.16762 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