CID 98017

Tetrahydrofurfuryl salicylate

Structural Information

Molecular Formula

C₁₂H₁₄O₄

SMILES

C1CC(OC1)COC(=O)C2=CC=CC=C2O

InChI

InChI=1S/C12H14O4/c13-11-6-2-1-5-10(11)12(14)16-8-9-4-3-7-15-9/h1-2,5-6,9,13H,3-4,7-8H2

InChIKey

VNDLMXQTZJPTOR-UHFFFAOYSA-N

Compound name

oxolan-2-ylmethyl 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 119
Patents: 222.0892 Da
Monoisotopic Mass: 3.0
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]+	223.09648	147.8
[M+Na]+	245.07842	153.5
[M-H]-	221.08192	153.5
[M+NH4]+	240.12302	165.4
[M+K]+	261.05236	152.8
[M+H-H2O]+	205.08646	141.6
[M+HCOO]-	267.08740	168.4
[M+CH3COO]-	281.10305	182.7
[M+Na-2H]-	243.06387	151.1
[M]+	222.08865	147.5
[M]-	222.08975	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe