CID 15153196

2,13-dimethyl-3,6,9,12-tetraoxatetradecane

Structural Information

Molecular Formula
C12H26O4
SMILES
CC(C)OCCOCCOCCOC(C)C
InChI
InChI=1S/C12H26O4/c1-11(2)15-9-7-13-5-6-14-8-10-16-12(3)4/h11-12H,5-10H2,1-4H3
InChIKey
AHTTUKMNYVZLFF-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

692
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 159.2
[M+Na]+ 257.172318 163.4
[M-H]- 233.175824 158.5
[M+NH4]+ 252.216923 177.1
[M+K]+ 273.146258 164.5
[M+H-H2O]+ 217.180360 153.1
[M+HCOO]- 279.181301 180.0
[M+CH3COO]- 293.196951 194.8
[M+Na-2H]- 255.157766 160.6
[M]+ 234.18255142 167.4
[M]- 234.18364858 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe