CID 146050245

4-[3-(4-chlorobutoxy)propoxy]butan-1-ol

Structural Information

Molecular Formula
C11H23ClO3
SMILES
C(CCOCCCOCCCCCl)CO
InChI
InChI=1S/C11H23ClO3/c12-6-1-3-8-14-10-5-11-15-9-4-2-7-13/h13H,1-11H2
InChIKey
NPDFZPVUEJJXOH-UHFFFAOYSA-N
Compound name
4-[3-(4-chlorobutoxy)propoxy]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

238.13358 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.140856 155.9
[M+Na]+ 261.122798 161.3
[M-H]- 237.126304 153.6
[M+NH4]+ 256.167403 173.9
[M+K]+ 277.096738 158.1
[M+H-H2O]+ 221.130840 151.2
[M+HCOO]- 283.131781 172.8
[M+CH3COO]- 297.147431 189.3
[M+Na-2H]- 259.108246 159.4
[M]+ 238.13303142 163.3
[M]- 238.13412858 163.3
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