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

429
Patents

136.08882 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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