CID 25055

2-propoxy-1-propanol

Structural Information

Molecular Formula

C₆H₁₄O₂

SMILES

CCCOC(C)CO

InChI

InChI=1S/C6H14O2/c1-3-4-8-6(2)5-7/h6-7H,3-5H2,1-2H3

InChIKey

PSKIVCBTSGNKBB-UHFFFAOYSA-N

Compound name

2-propoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1329
Patents: 118.09938 Da
Monoisotopic Mass: 0.7
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	126.1
[M+Na]+	141.08860	132.6
[M-H]-	117.09210	125.0
[M+NH4]+	136.13320	148.1
[M+K]+	157.06254	132.9
[M+H-H2O]+	101.09664	121.8
[M+HCOO]-	163.09758	147.8
[M+CH3COO]-	177.11323	169.3
[M+Na-2H]-	139.07405	131.4
[M]+	118.09883	127.7
[M]-	118.09993	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe