CID 122706405

(2z,4e)-2-amino-5-methyl-muconate

Structural Information

Molecular Formula
C7H9NO4
SMILES
C/C(=C\C=C(\C(=O)O)/N)/C(=O)O
InChI
InChI=1S/C7H9NO4/c1-4(6(9)10)2-3-5(8)7(11)12/h2-3H,8H2,1H3,(H,9,10)(H,11,12)/b4-2+,5-3-
InChIKey
GGEDKFZSIJEMTA-HZDAAVBUSA-N
Compound name
(2Z,4E)-2-amino-5-methylhexa-2,4-dienedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

171.05316 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.060436 136.6
[M+Na]+ 194.042378 142.0
[M-H]- 170.045884 133.6
[M+NH4]+ 189.086983 154.5
[M+K]+ 210.016318 140.7
[M+H-H2O]+ 154.050420 131.8
[M+HCOO]- 216.051361 155.2
[M+CH3COO]- 230.067011 176.2
[M+Na-2H]- 192.027826 136.1
[M]+ 171.05261142 132.7
[M]- 171.05370858 132.7
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.