CID 21936005

89795-00-6

Structural Information

Molecular Formula

C₇H₁₄O₃

SMILES

C1COCCC1(CCO)O

InChI

InChI=1S/C7H14O3/c8-4-1-7(9)2-5-10-6-3-7/h8-9H,1-6H2

InChIKey

DTWKYBUPVPGWDU-UHFFFAOYSA-N

Compound name

4-(2-hydroxyethyl)oxan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
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	130.8
[M+Na]+	169.08352	136.0
[M-H]-	145.08702	131.8
[M+NH4]+	164.12812	151.2
[M+K]+	185.05746	136.1
[M+H-H2O]+	129.09156	126.5
[M+HCOO]-	191.09250	148.4
[M+CH3COO]-	205.10815	166.7
[M+Na-2H]-	167.06897	138.3
[M]+	146.09375	127.2
[M]-	146.09485	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe