CID 11084741

Methyl 2-propoxybenzoate

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CCCOC1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C11H14O3/c1-3-8-14-10-7-5-4-6-9(10)11(12)13-2/h4-7H,3,8H2,1-2H3

InChIKey

CIFXXSVGKCRQHZ-UHFFFAOYSA-N

Compound name

methyl 2-propoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 194.0943 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe