CID 56841806

Einecs 250-779-8

Structural Information

Molecular Formula
C10H12O6
SMILES
CC(COC(=O)C=C)OC(=O)/C=C\C(=O)O
InChI
InChI=1S/C10H12O6/c1-3-9(13)15-6-7(2)16-10(14)5-4-8(11)12/h3-5,7H,1,6H2,2H3,(H,11,12)/b5-4-
InChIKey
QHNMXBRCQQYQST-PLNGDYQASA-N
Compound name
(Z)-4-oxo-4-(1-prop-2-enoyloxypropan-2-yloxy)but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.06339 Da
Monoisotopic Mass

0.8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.