CID 561764

Methyl 2-(benzyloxy)propanoate

Structural Information

Molecular Formula
C11H14O3
SMILES
CC(C(=O)OC)OCC1=CC=CC=C1
InChI
InChI=1S/C11H14O3/c1-9(11(12)13-2)14-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey
VYUWVGDHZQNXOP-UHFFFAOYSA-N
Compound name
methyl 2-phenylmethoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

194.0943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 142.3
[M+Na]+ 217.08352 148.6
[M-H]- 193.08702 145.7
[M+NH4]+ 212.12812 161.5
[M+K]+ 233.05746 148.1
[M+H-H2O]+ 177.09156 136.1
[M+HCOO]- 239.09250 165.1
[M+CH3COO]- 253.10815 183.6
[M+Na-2H]- 215.06897 146.9
[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

literature stripe

Patent stripe

patents stripe