CID 75987

Bis(2,3-epoxypropyl) adipate

Structural Information

Molecular Formula
C12H18O6
SMILES
C1C(O1)COC(=O)CCCCC(=O)OCC2CO2
InChI
InChI=1S/C12H18O6/c13-11(17-7-9-5-15-9)3-1-2-4-12(14)18-8-10-6-16-10/h9-10H,1-8H2
InChIKey
KBWLNCUTNDKMPN-UHFFFAOYSA-N
Compound name
bis(oxiran-2-ylmethyl) hexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8410
Patents

258.11035 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.117626 166.9
[M+Na]+ 281.099568 172.8
[M-H]- 257.103074 174.8
[M+NH4]+ 276.144173 170.6
[M+K]+ 297.073508 173.8
[M+H-H2O]+ 241.107610 159.7
[M+HCOO]- 303.108551 183.8
[M+CH3COO]- 317.124201 203.7
[M+Na-2H]- 279.085016 169.2
[M]+ 258.10980142 177.7
[M]- 258.11089858 177.7
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