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

132
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 152.9
[M+Na]+ 251.08900 160.7
[M-H]- 227.09250 157.7
[M+NH4]+ 246.13360 165.0
[M+K]+ 267.06294 159.8
[M+H-H2O]+ 211.09704 146.2
[M+HCOO]- 273.09798 174.2
[M+CH3COO]- 287.11363 190.7
[M+Na-2H]- 249.07445 156.6
[M]+ 228.09923 161.5
[M]- 228.10033 161.5
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