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]+ 172.06044 136.6
[M+Na]+ 194.04238 142.0
[M-H]- 170.04588 133.6
[M+NH4]+ 189.08698 154.5
[M+K]+ 210.01632 140.7
[M+H-H2O]+ 154.05042 131.8
[M+HCOO]- 216.05136 155.2
[M+CH3COO]- 230.06701 176.2
[M+Na-2H]- 192.02783 136.1
[M]+ 171.05261 132.7
[M]- 171.05371 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.