CID 12129

2,2-diethoxyethanol

Structural Information

Molecular Formula

C₆H₁₄O₃

SMILES

CCOC(CO)OCC

InChI

InChI=1S/C6H14O3/c1-3-8-6(5-7)9-4-2/h6-7H,3-5H2,1-2H3

InChIKey

IKKUKDZKIIIKJK-UHFFFAOYSA-N

Compound name

2,2-diethoxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1337
Patents: 134.0943 Da
Monoisotopic Mass: 0.1
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]+	135.101576	128.9
[M+Na]+	157.083518	135.4
[M-H]-	133.087024	127.7
[M+NH4]+	152.128123	150.2
[M+K]+	173.057458	136.1
[M+H-H2O]+	117.091560	124.3
[M+HCOO]-	179.092501	150.9
[M+CH3COO]-	193.108151	171.3
[M+Na-2H]-	155.068966	134.2
[M]+	134.09375142	132.0
[M]-	134.09484858	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe