CID 24891364

N-feruloylaspartic acid

Structural Information

Molecular Formula
C14H15NO7
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)NC(CC(=O)O)C(=O)O)O
InChI
InChI=1S/C14H15NO7/c1-22-11-6-8(2-4-10(11)16)3-5-12(17)15-9(14(20)21)7-13(18)19/h2-6,9,16H,7H2,1H3,(H,15,17)(H,18,19)(H,20,21)/b5-3+
InChIKey
SLAOOTKASUKZIE-HWKANZROSA-N
Compound name
2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.08484 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.09212 166.7
[M+Na]+ 332.07406 171.0
[M-H]- 308.07756 166.0
[M+NH4]+ 327.11866 178.4
[M+K]+ 348.04800 169.4
[M+H-H2O]+ 292.08210 159.9
[M+HCOO]- 354.08304 184.2
[M+CH3COO]- 368.09869 200.7
[M+Na-2H]- 330.05951 165.2
[M]+ 309.08429 167.3
[M]- 309.08539 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.