CID 15247548

Methyl 4-(methoxymethyl)benzoate

Structural Information

Molecular Formula
C10H12O3
SMILES
COCC1=CC=C(C=C1)C(=O)OC
InChI
InChI=1S/C10H12O3/c1-12-7-8-3-5-9(6-4-8)10(11)13-2/h3-6H,7H2,1-2H3
InChIKey
SSICQFZFHOPSCI-UHFFFAOYSA-N
Compound name
methyl 4-(methoxymethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

180.07864 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 137.2
[M+Na]+ 203.06786 149.8
[M+NH4]+ 198.11246 145.3
[M+K]+ 219.04180 143.9
[M-H]- 179.07136 138.7
[M+Na-2H]- 201.05331 143.8
[M]+ 180.07809 139.4
[M]- 180.07919 139.4
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

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