CID 3429262

13580-09-1

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

CC1(OCC(O1)COCC#C)C

InChI

InChI=1S/C9H14O3/c1-4-5-10-6-8-7-11-9(2,3)12-8/h1,8H,5-7H2,2-3H3

InChIKey

YIHVCVPUPCJWLF-UHFFFAOYSA-N

Compound name

2,2-dimethyl-4-(prop-2-ynoxymethyl)-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 170.0943 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]+	171.10158	132.3
[M+Na]+	193.08352	142.4
[M+NH4]+	188.12812	137.8
[M+K]+	209.05746	135.0
[M-H]-	169.08702	127.1
[M+Na-2H]-	191.06897	134.0
[M]+	170.09375	131.5
[M]-	170.09485	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe