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]+ 252.08666 153.7
[M+Na]+ 274.06860 160.3
[M-H]- 250.07210 155.5
[M+NH4]+ 269.11320 169.4
[M+K]+ 290.04254 158.4
[M+H-H2O]+ 234.07664 147.0
[M+HCOO]- 296.07758 175.8
[M+CH3COO]- 310.09323 193.5
[M+Na-2H]- 272.05405 155.3
[M]+ 251.07883 155.5
[M]- 251.07993 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.