CID 85528

16646-44-9

Structural Information

Molecular Formula
C14H22O4
SMILES
C=CCOC(C(OCC=C)OCC=C)OCC=C
InChI
InChI=1S/C14H22O4/c1-5-9-15-13(16-10-6-2)14(17-11-7-3)18-12-8-4/h5-8,13-14H,1-4,9-12H2
InChIKey
BXAAQNFGSQKPDZ-UHFFFAOYSA-N
Compound name
3-[1,2,2-tris(prop-2-enoxy)ethoxy]prop-1-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

10136
Patents

254.15181 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.15909 161.4
[M+Na]+ 277.14103 166.0
[M-H]- 253.14453 160.4
[M+NH4]+ 272.18563 178.2
[M+K]+ 293.11497 164.0
[M+H-H2O]+ 237.14907 155.3
[M+HCOO]- 299.15001 182.4
[M+CH3COO]- 313.16566 197.3
[M+Na-2H]- 275.12648 162.0
[M]+ 254.15126 167.5
[M]- 254.15236 167.5
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