CID 9813425

4161-33-5

Structural Information

Molecular Formula
C12H26O4
SMILES
C(CCOCCCCOCCCCO)CO
InChI
InChI=1S/C12H26O4/c13-7-1-3-9-15-11-5-6-12-16-10-4-2-8-14/h13-14H,1-12H2
InChIKey
YVOJURUGJXVFMG-UHFFFAOYSA-N
Compound name
4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

291
Patents

234.1831 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.190376 158.6
[M+Na]+ 257.172318 162.3
[M-H]- 233.175824 154.7
[M+NH4]+ 252.216923 175.1
[M+K]+ 273.146258 160.6
[M+H-H2O]+ 217.180360 152.7
[M+HCOO]- 279.181301 178.3
[M+CH3COO]- 293.196951 187.9
[M+Na-2H]- 255.157766 161.5
[M]+ 234.18255142 164.1
[M]- 234.18364858 164.1
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