CID 119795

28025-23-2

Structural Information

Molecular Formula

C₇H₁₄O₃

SMILES

COCC(COCC=C)O

InChI

InChI=1S/C7H14O3/c1-3-4-10-6-7(8)5-9-2/h3,7-8H,1,4-6H2,2H3

InChIKey

DAJQDKKDVFBUTA-UHFFFAOYSA-N

Compound name

1-methoxy-3-prop-2-enoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 146.0943 Da
Monoisotopic Mass: 0.0
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]+	147.10158	131.9
[M+Na]+	169.08352	138.3
[M-H]-	145.08702	130.7
[M+NH4]+	164.12812	152.7
[M+K]+	185.05746	138.2
[M+H-H2O]+	129.09156	127.3
[M+HCOO]-	191.09250	153.8
[M+CH3COO]-	205.10815	173.4
[M+Na-2H]-	167.06897	136.7
[M]+	146.09375	134.7
[M]-	146.09485	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe