CID 10606949

3-(3-chloropropoxy)propan-1-ol

Structural Information

Molecular Formula

C₆H₁₃ClO₂

SMILES

C(CO)COCCCCl

InChI

InChI=1S/C6H13ClO2/c7-3-1-5-9-6-2-4-8/h8H,1-6H2

InChIKey

SAWRKIBKAKPLFS-UHFFFAOYSA-N

Compound name

3-(3-chloropropoxy)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 152.06041 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]+	153.06769	130.5
[M+Na]+	175.04963	138.0
[M-H]-	151.05313	129.2
[M+NH4]+	170.09423	152.0
[M+K]+	191.02357	135.7
[M+H-H2O]+	135.05767	127.1
[M+HCOO]-	197.05861	148.8
[M+CH3COO]-	211.07426	172.4
[M+Na-2H]-	173.03508	136.7
[M]+	152.05986	134.5
[M]-	152.06096	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe