CID 2168687

565191-96-0

Structural Information

Molecular Formula
C12H11NO4
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)O)OCC#N
InChI
InChI=1S/C12H11NO4/c1-16-11-8-9(3-5-12(14)15)2-4-10(11)17-7-6-13/h2-5,8H,7H2,1H3,(H,14,15)/b5-3+
InChIKey
OMDFXXAQWPQRQG-HWKANZROSA-N
Compound name
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.0688 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07608 150.3
[M+Na]+ 256.05802 161.0
[M+NH4]+ 251.10262 153.0
[M+K]+ 272.03196 152.8
[M-H]- 232.06152 143.1
[M+Na-2H]- 254.04347 152.2
[M]+ 233.06825 148.7
[M]- 233.06935 148.7
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.