CID 3015909

37387-11-4

Structural Information

Molecular Formula
C12H26O4
SMILES
CCCCOCCOCC(C)OCC(C)O
InChI
InChI=1S/C12H26O4/c1-4-5-6-14-7-8-15-10-12(3)16-9-11(2)13/h11-13H,4-10H2,1-3H3
InChIKey
JUUQEXBPXBYHLF-UHFFFAOYSA-N
Compound name
1-[1-(2-butoxyethoxy)propan-2-yloxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.1831 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.190376 159.8
[M+Na]+ 257.172318 163.5
[M-H]- 233.175824 157.6
[M+NH4]+ 252.216923 176.9
[M+K]+ 273.146258 163.7
[M+H-H2O]+ 217.180360 153.9
[M+HCOO]- 279.181301 179.1
[M+CH3COO]- 293.196951 192.1
[M+Na-2H]- 255.157766 160.6
[M]+ 234.18255142 166.0
[M]- 234.18364858 166.0
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.