CID 562482

Methyl 3-(2-methoxyphenyl)propanoate

Structural Information

Molecular Formula
C11H14O3
SMILES
COC1=CC=CC=C1CCC(=O)OC
InChI
InChI=1S/C11H14O3/c1-13-10-6-4-3-5-9(10)7-8-11(12)14-2/h3-6H,7-8H2,1-2H3
InChIKey
BJDNTBIPIZYXPN-UHFFFAOYSA-N
Compound name
methyl 3-(2-methoxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

45
Patents

194.0943 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 141.2
[M+Na]+ 217.083518 148.7
[M-H]- 193.087024 145.0
[M+NH4]+ 212.128123 160.9
[M+K]+ 233.057458 147.9
[M+H-H2O]+ 177.091560 135.2
[M+HCOO]- 239.092501 165.1
[M+CH3COO]- 253.108151 183.8
[M+Na-2H]- 215.068966 146.5
[M]+ 194.09375142 145.2
[M]- 194.09484858 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