CID 104036

51978-15-5

Structural Information

Molecular Formula
C10H12O6
SMILES
CC(=C)C(=O)OCCOC(=O)C=CC(=O)O
InChI
InChI=1S/C10H12O6/c1-7(2)10(14)16-6-5-15-9(13)4-3-8(11)12/h3-4H,1,5-6H2,2H3,(H,11,12)
InChIKey
HSFXEOPJXMFQHG-UHFFFAOYSA-N
Compound name
4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1988
Patents

228.06339 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.07067 147.4
[M+Na]+ 251.05261 153.1
[M-H]- 227.05611 145.9
[M+NH4]+ 246.09721 164.3
[M+K]+ 267.02655 152.8
[M+H-H2O]+ 211.06065 142.2
[M+HCOO]- 273.06159 166.9
[M+CH3COO]- 287.07724 185.8
[M+Na-2H]- 249.03806 147.3
[M]+ 228.06284 150.7
[M]- 228.06394 150.7
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