CID 88195

2,5,8,11-tetraoxatetradec-13-ene

Structural Information

Molecular Formula
C10H20O4
SMILES
COCCOCCOCCOCC=C
InChI
InChI=1S/C10H20O4/c1-3-4-12-7-8-14-10-9-13-6-5-11-2/h3H,1,4-10H2,2H3
InChIKey
QOQTULDKYFWBLQ-UHFFFAOYSA-N
Compound name
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]prop-1-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

251
Patents

204.13615 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.143426 147.0
[M+Na]+ 227.125368 152.7
[M-H]- 203.128874 146.4
[M+NH4]+ 222.169973 166.1
[M+K]+ 243.099308 152.8
[M+H-H2O]+ 187.133410 141.2
[M+HCOO]- 249.134351 170.6
[M+CH3COO]- 263.150001 186.3
[M+Na-2H]- 225.110816 152.1
[M]+ 204.13560142 155.0
[M]- 204.13669858 155.0
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