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]+ 221.08084 147.8
[M+Na]+ 243.06278 153.6
[M-H]- 219.06628 149.8
[M+NH4]+ 238.10738 165.0
[M+K]+ 259.03672 151.9
[M+H-H2O]+ 203.07082 141.7
[M+HCOO]- 265.07176 168.4
[M+CH3COO]- 279.08741 184.5
[M+Na-2H]- 241.04823 150.3
[M]+ 220.07301 148.6
[M]- 220.07411 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.