CID 14219920

Methyl 4-(methoxymethyl)phenylacetate

Structural Information

Molecular Formula
C11H14O3
SMILES
COCC1=CC=C(C=C1)CC(=O)OC
InChI
InChI=1S/C11H14O3/c1-13-8-10-5-3-9(4-6-10)7-11(12)14-2/h3-6H,7-8H2,1-2H3
InChIKey
PICKHCWVNHPTSX-UHFFFAOYSA-N
Compound name
methyl 2-[4-(methoxymethyl)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.0943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 141.2
[M+Na]+ 217.08352 148.7
[M-H]- 193.08702 145.0
[M+NH4]+ 212.12812 160.9
[M+K]+ 233.05746 147.9
[M+H-H2O]+ 177.09156 135.2
[M+HCOO]- 239.09250 165.1
[M+CH3COO]- 253.10815 183.8
[M+Na-2H]- 215.06897 146.5
[M]+ 194.09375 145.2
[M]- 194.09485 145.2
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