CID 6437890

63991-93-5

Structural Information

Molecular Formula

C₇H₁₄O₃

SMILES

CC/C=C/OCC(CO)O

InChI

InChI=1S/C7H14O3/c1-2-3-4-10-6-7(9)5-8/h3-4,7-9H,2,5-6H2,1H3/b4-3+

InChIKey

WVRYFQNFOFQUFV-ONEGZZNKSA-N

Compound name

3-[(E)-but-1-enoxy]propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 146.0943 Da
Monoisotopic Mass: 0.2
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]+	147.10158	133.0
[M+Na]+	169.08352	139.1
[M-H]-	145.08702	130.3
[M+NH4]+	164.12812	153.1
[M+K]+	185.05746	138.0
[M+H-H2O]+	129.09156	128.6
[M+HCOO]-	191.09250	153.4
[M+CH3COO]-	205.10815	170.1
[M+Na-2H]-	167.06897	137.2
[M]+	146.09375	133.7
[M]-	146.09485	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe