CID 32857

3,3'-oxydipropanol

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: 47834
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]+	135.101576	129.0
[M+Na]+	157.083518	135.3
[M-H]-	133.087024	126.4
[M+NH4]+	152.128123	149.6
[M+K]+	173.057458	134.7
[M+H-H2O]+	117.091560	124.6
[M+HCOO]-	179.092501	150.5
[M+CH3COO]-	193.108151	167.8
[M+Na-2H]-	155.068966	135.1
[M]+	134.09375142	130.9
[M]-	134.09484858	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe