CID 10869

Benzyl methyl ether

Structural Information

Molecular Formula
C8H10O
SMILES
COCC1=CC=CC=C1
InChI
InChI=1S/C8H10O/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey
GQKZBCPTCWJTAS-UHFFFAOYSA-N
Compound name
methoxymethylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

53
References

41654
Patents

122.073166 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.08044 122.8
[M+Na]+ 145.06238 136.6
[M+NH4]+ 140.10699 132.7
[M+K]+ 161.03632 129.3
[M-H]- 121.06589 125.9
[M+Na-2H]- 143.04783 131.6
[M]+ 122.07262 125.7
[M]- 122.07371 125.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe