CID 91757610

3-[2-(3-chloropropoxy)ethoxy]propan-1-ol

Structural Information

Molecular Formula
C8H17ClO3
SMILES
C(CO)COCCOCCCCl
InChI
InChI=1S/C8H17ClO3/c9-3-1-5-11-7-8-12-6-2-4-10/h10H,1-8H2
InChIKey
JXYZOJZJAVBXLI-UHFFFAOYSA-N
Compound name
3-[2-(3-chloropropoxy)ethoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

196.08662 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09390 140.5
[M+Na]+ 219.07584 150.5
[M+NH4]+ 214.12044 147.7
[M+K]+ 235.04978 144.2
[M-H]- 195.07934 139.0
[M+Na-2H]- 217.06129 143.4
[M]+ 196.08607 141.5
[M]- 196.08717 141.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe