CID 146155337

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

Structural Information

Molecular Formula
C11H24O4
SMILES
C(CCOCCCOCCCCO)CO
InChI
InChI=1S/C11H24O4/c12-6-1-3-8-14-10-5-11-15-9-4-2-7-13/h12-13H,1-11H2
InChIKey
AXQVLZUFQLDBNY-UHFFFAOYSA-N
Compound name
4-[3-(4-hydroxybutoxy)propoxy]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

220.16747 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.174746 154.1
[M+Na]+ 243.156688 158.2
[M-H]- 219.160194 150.4
[M+NH4]+ 238.201293 171.2
[M+K]+ 259.130628 156.8
[M+H-H2O]+ 203.164730 148.4
[M+HCOO]- 265.165671 174.2
[M+CH3COO]- 279.181321 184.9
[M+Na-2H]- 241.142136 157.5
[M]+ 220.16692142 159.3
[M]- 220.16801858 159.3
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