CID 347827

1,3-dioxolane-4-methanol, 2-propyl-

Structural Information

Molecular Formula

C₇H₁₄O₃

SMILES

CCCC1OCC(O1)CO

InChI

InChI=1S/C7H14O3/c1-2-3-7-9-5-6(4-8)10-7/h6-8H,2-5H2,1H3

InChIKey

MCDLJNJNGRFOOF-UHFFFAOYSA-N

Compound name

(2-propyl-1,3-dioxolan-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 146.0943 Da
Monoisotopic Mass: 0.5
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]+	147.10158	129.9
[M+Na]+	169.08352	139.6
[M+NH4]+	164.12812	137.7
[M+K]+	185.05746	137.3
[M-H]-	145.08702	132.7
[M+Na-2H]-	167.06897	132.4
[M]+	146.09375	131.8
[M]-	146.09485	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe