CID 61417

Anisyl propionate

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CCC(=O)OCC1=CC=C(C=C1)OC

InChI

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

InChIKey

YWIJRJQYADFRTL-UHFFFAOYSA-N

Compound name

(4-methoxyphenyl)methyl propanoate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1
References: 295
Patents: 194.0943 Da
Monoisotopic Mass: 2.7
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

literature stripe

Patent stripe

patents stripe