CID 10351751

1-(methoxymethyl)-3-methylbenzene

Structural Information

Molecular Formula
C9H12O
SMILES
CC1=CC(=CC=C1)COC
InChI
InChI=1S/C9H12O/c1-8-4-3-5-9(6-8)7-10-2/h3-6H,7H2,1-2H3
InChIKey
QVHCCKLBSWVWQB-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)-3-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

502
Patents

136.08882 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.09610 126.1
[M+Na]+ 159.07804 134.6
[M-H]- 135.08154 130.2
[M+NH4]+ 154.12264 148.4
[M+K]+ 175.05198 133.3
[M+H-H2O]+ 119.08608 120.9
[M+HCOO]- 181.08702 151.0
[M+CH3COO]- 195.10267 174.6
[M+Na-2H]- 157.06349 133.9
[M]+ 136.08827 128.0
[M]- 136.08937 128.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe