CID 6436501

19201-36-6

Structural Information

Molecular Formula
C9H10O6
SMILES
C=CC(=O)OCCOC(=O)/C=C\C(=O)O
InChI
InChI=1S/C9H10O6/c1-2-8(12)14-5-6-15-9(13)4-3-7(10)11/h2-4H,1,5-6H2,(H,10,11)/b4-3-
InChIKey
ROZDMUUELHCVQC-ARJAWSKDSA-N
Compound name
(Z)-4-oxo-4-(2-prop-2-enoyloxyethoxy)but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

847
Patents

214.04774 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.05502 146.1
[M+Na]+ 237.03696 152.9
[M+NH4]+ 232.08156 149.4
[M+K]+ 253.01090 150.8
[M-H]- 213.04046 141.0
[M+Na-2H]- 235.02241 145.4
[M]+ 214.04719 144.8
[M]- 214.04829 144.8
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