CID 77664

1,3-diethoxy-2-propanol

Structural Information

Molecular Formula

C₇H₁₆O₃

SMILES

CCOCC(COCC)O

InChI

InChI=1S/C7H16O3/c1-3-9-5-7(8)6-10-4-2/h7-8H,3-6H2,1-2H3

InChIKey

WIHIUTUAHOZVLE-UHFFFAOYSA-N

Compound name

1,3-diethoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3207
Patents: 148.10994 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]+	149.11722	133.5
[M+Na]+	171.09916	139.6
[M-H]-	147.10266	132.2
[M+NH4]+	166.14376	154.3
[M+K]+	187.07310	140.1
[M+H-H2O]+	131.10720	128.8
[M+HCOO]-	193.10814	155.2
[M+CH3COO]-	207.12379	174.3
[M+Na-2H]-	169.08461	138.3
[M]+	148.10939	137.0
[M]-	148.11049	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe