CID 6176301

696645-32-6

Structural Information

Molecular Formula
C12H13NO5
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)O)OCC(=O)N
InChI
InChI=1S/C12H13NO5/c1-17-10-6-8(3-5-12(15)16)2-4-9(10)18-7-11(13)14/h2-6H,7H2,1H3,(H2,13,14)(H,15,16)/b5-3+
InChIKey
ZDPCLIUSUWFDLB-HWKANZROSA-N
Compound name
(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.07938 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.086656 153.7
[M+Na]+ 274.068598 160.3
[M-H]- 250.072104 155.5
[M+NH4]+ 269.113203 169.4
[M+K]+ 290.042538 158.4
[M+H-H2O]+ 234.076640 147.0
[M+HCOO]- 296.077581 175.8
[M+CH3COO]- 310.093231 193.5
[M+Na-2H]- 272.054046 155.3
[M]+ 251.07883142 155.5
[M]- 251.07992858 155.5
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.