CID 6435489

N-piperoylglycine

Structural Information

Molecular Formula
C14H13NO5
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C/C=C/C(=O)NCC(=O)O
InChI
InChI=1S/C14H13NO5/c16-13(15-8-14(17)18)4-2-1-3-10-5-6-11-12(7-10)20-9-19-11/h1-7H,8-9H2,(H,15,16)(H,17,18)/b3-1+,4-2+
InChIKey
YJGUOUOJYSSXTR-ZPUQHVIOSA-N
Compound name
2-[[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.07938 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08666 162.2
[M+Na]+ 298.06860 167.9
[M-H]- 274.07210 166.1
[M+NH4]+ 293.11320 177.1
[M+K]+ 314.04254 166.5
[M+H-H2O]+ 258.07664 156.2
[M+HCOO]- 320.07758 181.6
[M+CH3COO]- 334.09323 195.2
[M+Na-2H]- 296.05405 166.2
[M]+ 275.07883 163.8
[M]- 275.07993 163.8
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

patents stripe