CID 32857

2396-61-4

Structural Information

Molecular Formula

C₆H₁₄O₃

SMILES

C(CO)COCCCO

InChI

InChI=1S/C6H14O3/c7-3-1-5-9-6-2-4-8/h7-8H,1-6H2

InChIKey

SZXQTJUDPRGNJN-UHFFFAOYSA-N

Compound name

3-(3-hydroxypropoxy)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 162844
Patents: 134.0943 Da
Monoisotopic Mass: -0.6
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]+	135.10158	127.8
[M+Na]+	157.08352	136.8
[M+NH4]+	152.12812	134.7
[M+K]+	173.05746	132.1
[M-H]-	133.08702	125.8
[M+Na-2H]-	155.06897	130.4
[M]+	134.09375	128.2
[M]-	134.09485	128.2

Literature stripe

literature stripe

Patent stripe

patents stripe