CID 5395730

Methyl (2z)-2-hydroxy-4-oxo-4-phenylbut-2-enoate

Structural Information

Molecular Formula
C11H10O4
SMILES
COC(=O)C(=O)/C=C(/C1=CC=CC=C1)\O
InChI
InChI=1S/C11H10O4/c1-15-11(14)10(13)7-9(12)8-5-3-2-4-6-8/h2-7,12H,1H3/b9-7-
InChIKey
RLRGETOSWKYBHX-CLFYSBASSA-N
Compound name
methyl (Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

13
Patents

206.0579 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 143.1
[M+Na]+ 229.04712 149.3
[M-H]- 205.05062 145.3
[M+NH4]+ 224.09172 160.9
[M+K]+ 245.02106 147.8
[M+H-H2O]+ 189.05516 137.2
[M+HCOO]- 251.05610 164.1
[M+CH3COO]- 265.07175 181.5
[M+Na-2H]- 227.03257 146.1
[M]+ 206.05735 143.5
[M]- 206.05845 143.5
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