CID 75719

2565-21-1

Structural Information

Molecular Formula
C12H20O3
SMILES
C=CCOCC(COCC=C)OCC=C
InChI
InChI=1S/C12H20O3/c1-4-7-13-10-12(15-9-6-3)11-14-8-5-2/h4-6,12H,1-3,7-11H2
InChIKey
BXZCTALFGYLMTD-UHFFFAOYSA-N
Compound name
1,2,3-tris(prop-2-enoxy)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1057
Patents

212.14125 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.148526 150.9
[M+Na]+ 235.130468 156.3
[M-H]- 211.133974 150.2
[M+NH4]+ 230.175073 169.6
[M+K]+ 251.104408 154.5
[M+H-H2O]+ 195.138510 145.3
[M+HCOO]- 257.139451 173.1
[M+CH3COO]- 271.155101 189.4
[M+Na-2H]- 233.115916 153.7
[M]+ 212.14070142 156.1
[M]- 212.14179858 156.1
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