CID 13208537

97664-49-8

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

C1OC2=C(O1)C=C(C=C2)CCCCO

InChI

InChI=1S/C11H14O3/c12-6-2-1-3-9-4-5-10-11(7-9)14-8-13-10/h4-5,7,12H,1-3,6,8H2

InChIKey

KFJKMUYYBNBSMT-UHFFFAOYSA-N

Compound name

4-(1,3-benzodioxol-5-yl)butan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 194.0943 Da
Monoisotopic Mass: 2.2
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]+	195.10158	140.5
[M+Na]+	217.08352	152.3
[M+NH4]+	212.12812	149.1
[M+K]+	233.05746	148.5
[M-H]-	193.08702	144.6
[M+Na-2H]-	215.06897	144.3
[M]+	194.09375	143.3
[M]-	194.09485	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe