CID 86587

17576-35-1

Structural Information

Molecular Formula

C₆H₁₂O₃

SMILES

COC=CC(OC)OC

InChI

InChI=1S/C6H12O3/c1-7-5-4-6(8-2)9-3/h4-6H,1-3H3

InChIKey

JGVSIZVWGGQMPY-UHFFFAOYSA-N

Compound name

1,3,3-trimethoxyprop-1-ene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 231
Patents: 132.07864 Da
Monoisotopic Mass: 0.3
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]+	133.085916	126.5
[M+Na]+	155.067858	133.9
[M-H]-	131.071364	127.0
[M+NH4]+	150.112463	148.7
[M+K]+	171.041798	135.0
[M+H-H2O]+	115.075900	122.0
[M+HCOO]-	177.076841	150.3
[M+CH3COO]-	191.092491	172.4
[M+Na-2H]-	153.053306	132.5
[M]+	132.07809142	130.8
[M]-	132.07918858	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe