CID 80790

Carvacrol methyl ether

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CC1=C(C=C(C=C1)C(C)C)OC

InChI

InChI=1S/C11H16O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-8H,1-4H3

InChIKey

YVLHTQPPMZOCOW-UHFFFAOYSA-N

Compound name

2-methoxy-1-methyl-4-propan-2-ylbenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 12
References: 393
Patents: 164.12012 Da
Monoisotopic Mass: 3.4
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]+	165.12740	135.6
[M+Na]+	187.10934	149.3
[M+NH4]+	182.15394	145.0
[M+K]+	203.08328	142.4
[M-H]-	163.11284	138.5
[M+Na-2H]-	185.09479	142.8
[M]+	164.11957	138.5
[M]-	164.12067	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe