CID 2724987

(-)-chloromethyl menthyl ether

Structural Information

Molecular Formula
C11H21ClO
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OCCl)C(C)C
InChI
InChI=1S/C11H21ClO/c1-8(2)10-5-4-9(3)6-11(10)13-7-12/h8-11H,4-7H2,1-3H3/t9-,10+,11-/m1/s1
InChIKey
XOPLTFUYFXWFGB-OUAUKWLOSA-N
Compound name
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

24
Patents

204.1281 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13538 147.1
[M+Na]+ 227.11732 153.0
[M-H]- 203.12082 149.9
[M+NH4]+ 222.16192 167.4
[M+K]+ 243.09126 150.2
[M+H-H2O]+ 187.12536 142.6
[M+HCOO]- 249.12630 161.3
[M+CH3COO]- 263.14195 187.5
[M+Na-2H]- 225.10277 148.2
[M]+ 204.12755 146.9
[M]- 204.12865 146.9
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