CID 3020500

Ns00063878

Structural Information

Molecular Formula
C12H26O4
SMILES
CCC(O)OC(C)COC(C)COC(C)C
InChI
InChI=1S/C12H26O4/c1-6-12(13)16-11(5)8-15-10(4)7-14-9(2)3/h9-13H,6-8H2,1-5H3
InChIKey
XODAJVNOMMSMNU-UHFFFAOYSA-N
Compound name
1-[1-(1-propan-2-yloxypropan-2-yloxy)propan-2-yloxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.1831 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.190376 160.1
[M+Na]+ 257.172318 163.5
[M-H]- 233.175824 158.1
[M+NH4]+ 252.216923 177.2
[M+K]+ 273.146258 164.6
[M+H-H2O]+ 217.180360 154.5
[M+HCOO]- 279.181301 177.4
[M+CH3COO]- 293.196951 194.0
[M+Na-2H]- 255.157766 158.4
[M]+ 234.18255142 165.0
[M]- 234.18364858 165.0
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

No patent data available for this compound.