CID 6435489

Glycine, n-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-

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]+ 276.086656 162.2
[M+Na]+ 298.068598 167.9
[M-H]- 274.072104 166.1
[M+NH4]+ 293.113203 177.1
[M+K]+ 314.042538 166.5
[M+H-H2O]+ 258.076640 156.2
[M+HCOO]- 320.077581 181.6
[M+CH3COO]- 334.093231 195.2
[M+Na-2H]- 296.054046 166.2
[M]+ 275.07883142 163.8
[M]- 275.07992858 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