CID 6433942

Butyl glycidyl fumarate

Structural Information

Molecular Formula
C11H16O5
SMILES
CCCCOC(=O)/C=C\C(=O)OCC1CO1
InChI
InChI=1S/C11H16O5/c1-2-3-6-14-10(12)4-5-11(13)16-8-9-7-15-9/h4-5,9H,2-3,6-8H2,1H3/b5-4-
InChIKey
VBZMQBCINSHBFF-PLNGDYQASA-N
Compound name
1-O-butyl 4-O-(oxiran-2-ylmethyl) (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

228.09978 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10706 151.8
[M+Na]+ 251.08900 161.7
[M+NH4]+ 246.13360 157.6
[M+K]+ 267.06294 159.3
[M-H]- 227.09250 158.3
[M+Na-2H]- 249.07445 155.9
[M]+ 228.09923 155.7
[M]- 228.10033 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe