CID 76933

Methylbenzyloxymethane

Structural Information

Molecular Formula

C₉H₁₂O

SMILES

CC1=CC=C(C=C1)COC

InChI

InChI=1S/C9H12O/c1-8-3-5-9(6-4-8)7-10-2/h3-6H,7H2,1-2H3

InChIKey

HNASEWFYPPRNKM-UHFFFAOYSA-N

Compound name

1-(methoxymethyl)-4-methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 865
Patents: 136.08882 Da
Monoisotopic Mass: 2.1
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]+	137.096096	126.1
[M+Na]+	159.078038	134.6
[M-H]-	135.081544	130.2
[M+NH4]+	154.122643	148.4
[M+K]+	175.051978	133.3
[M+H-H2O]+	119.086080	120.9
[M+HCOO]-	181.087021	151.0
[M+CH3COO]-	195.102671	174.6
[M+Na-2H]-	157.063486	133.9
[M]+	136.08827142	128.0
[M]-	136.08936858	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe