CID 6433943

Ethyl 2,3-epoxypropyl fumarate

Structural Information

Molecular Formula
C9H12O5
SMILES
CCOC(=O)/C=C\C(=O)OCC1CO1
InChI
InChI=1S/C9H12O5/c1-2-12-8(10)3-4-9(11)14-6-7-5-13-7/h3-4,7H,2,5-6H2,1H3/b4-3-
InChIKey
SFUDBXKBPOKIIW-ARJAWSKDSA-N
Compound name
1-O-ethyl 4-O-(oxiran-2-ylmethyl) (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

294
Patents

200.06847 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07575 144.2
[M+Na]+ 223.05769 152.8
[M-H]- 199.06119 149.4
[M+NH4]+ 218.10229 157.4
[M+K]+ 239.03163 152.4
[M+H-H2O]+ 183.06573 137.8
[M+HCOO]- 245.06667 166.1
[M+CH3COO]- 259.08232 185.0
[M+Na-2H]- 221.04314 148.9
[M]+ 200.06792 152.1
[M]- 200.06902 152.1
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