CID 61868

1-propanol, 3-propoxy-

Structural Information

Molecular Formula

C₆H₁₄O₂

SMILES

CCCOCCCO

InChI

InChI=1S/C6H14O2/c1-2-5-8-6-3-4-7/h7H,2-6H2,1H3

InChIKey

LDMRLRNXHLPZJN-UHFFFAOYSA-N

Compound name

3-propoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 37386
Patents: 118.09938 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]+	119.10666	125.5
[M+Na]+	141.08860	132.3
[M-H]-	117.09210	124.3
[M+NH4]+	136.13320	147.6
[M+K]+	157.06254	132.2
[M+H-H2O]+	101.09664	121.2
[M+HCOO]-	163.09758	148.3
[M+CH3COO]-	177.11323	168.5
[M+Na-2H]-	139.07405	132.1
[M]+	118.09883	127.8
[M]-	118.09993	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe