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

108
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 136.4
[M+Na]+ 203.06786 144.4
[M-H]- 179.07136 140.4
[M+NH4]+ 198.11246 156.7
[M+K]+ 219.04180 143.8
[M+H-H2O]+ 163.07590 130.7
[M+HCOO]- 225.07684 160.7
[M+CH3COO]- 239.09249 180.8
[M+Na-2H]- 201.05331 142.3
[M]+ 180.07809 140.1
[M]- 180.07919 140.1
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