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

78
Patents

228.09978 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.107056 152.9
[M+Na]+ 251.088998 160.7
[M-H]- 227.092504 157.7
[M+NH4]+ 246.133603 165.0
[M+K]+ 267.062938 159.8
[M+H-H2O]+ 211.097040 146.2
[M+HCOO]- 273.097981 174.2
[M+CH3COO]- 287.113631 190.7
[M+Na-2H]- 249.074446 156.6
[M]+ 228.09923142 161.5
[M]- 228.10032858 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