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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.13538	145.4
[M+Na]+	227.11732	157.0
[M+NH4]+	222.16192	154.7
[M+K]+	243.09126	149.9
[M-H]-	203.12082	147.6
[M+Na-2H]-	225.10277	149.9
[M]+	204.12755	147.9
[M]-	204.12865	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe