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

29
Patents

152.06041 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06769 128.7
[M+Na]+ 175.04963 139.6
[M+NH4]+ 170.09423 136.9
[M+K]+ 191.02357 133.3
[M-H]- 151.05313 127.9
[M+Na-2H]- 173.03508 132.6
[M]+ 152.05986 130.1
[M]- 152.06096 130.1
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