CID 639934

Nsc643763

Structural Information

Molecular Formula
C12H12O4
SMILES
CCOC(=O)/C(=C/C1=CC=CC=C1)/C(=O)O
InChI
InChI=1S/C12H12O4/c1-2-16-12(15)10(11(13)14)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14)/b10-8+
InChIKey
BHKULYKFSYZBQR-CSKARUKUSA-N
Compound name
(E)-2-ethoxycarbonyl-3-phenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.07356 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.080836 147.8
[M+Na]+ 243.062778 153.6
[M-H]- 219.066284 149.8
[M+NH4]+ 238.107383 165.0
[M+K]+ 259.036718 151.9
[M+H-H2O]+ 203.070820 141.7
[M+HCOO]- 265.071761 168.4
[M+CH3COO]- 279.087411 184.5
[M+Na-2H]- 241.048226 150.3
[M]+ 220.07301142 148.6
[M]- 220.07410858 148.6
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.