CID 228343

1565-76-0

Structural Information

Molecular Formula
C11H22O
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OC)C(C)C
InChI
InChI=1S/C11H22O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h8-11H,5-7H2,1-4H3/t9-,10+,11-/m1/s1
InChIKey
JDGJLPHFRJNJMN-OUAUKWLOSA-N
Compound name
(1S,2R,4R)-2-methoxy-4-methyl-1-propan-2-ylcyclohexane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

2473
Patents

170.16707 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.17435 140.8
[M+Na]+ 193.15629 145.9
[M-H]- 169.15979 143.8
[M+NH4]+ 188.20089 161.7
[M+K]+ 209.13023 145.3
[M+H-H2O]+ 153.16433 135.6
[M+HCOO]- 215.16527 159.6
[M+CH3COO]- 229.18092 183.7
[M+Na-2H]- 191.14174 142.4
[M]+ 170.16652 138.7
[M]- 170.16762 138.7
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