CID 2776187

(1,3-dioxaindan-4-yl)methanol

Structural Information

Molecular Formula

C₈H₈O₃

SMILES

C1OC2=CC=CC(=C2O1)CO

InChI

InChI=1S/C8H8O3/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-3,9H,4-5H2

InChIKey

XVCMMPXFVAHHQN-UHFFFAOYSA-N

Compound name

1,3-benzodioxol-4-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 152.04735 Da
Monoisotopic Mass: 0.8
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]+	153.05463	126.1
[M+Na]+	175.03657	134.9
[M-H]-	151.04007	130.9
[M+NH4]+	170.08117	147.0
[M+K]+	191.01051	135.3
[M+H-H2O]+	135.04461	121.7
[M+HCOO]-	197.04555	147.6
[M+CH3COO]-	211.06120	170.7
[M+Na-2H]-	173.02202	135.3
[M]+	152.04680	127.9
[M]-	152.04790	127.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe