CID 166517

2-isopropoxyethyl salicylate

Structural Information

Molecular Formula

C₁₂H₁₆O₄

SMILES

CC(C)OCCOC(=O)C1=CC=CC=C1O

InChI

InChI=1S/C12H16O4/c1-9(2)15-7-8-16-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3

InChIKey

KFBPVHFUHYKWIF-UHFFFAOYSA-N

Compound name

2-propan-2-yloxyethyl 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 192
Patents: 224.10486 Da
Monoisotopic Mass: 3.2
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]+	225.11214	149.8
[M+Na]+	247.09408	160.5
[M+NH4]+	242.13868	156.3
[M+K]+	263.06802	155.8
[M-H]-	223.09758	149.9
[M+Na-2H]-	245.07953	154.3
[M]+	224.10431	151.1
[M]-	224.10541	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe