CID 5280499

O-aminomuconate

Structural Information

Molecular Formula
C6H7NO4
SMILES
C(=C\C(=O)O)\C=C(/C(=O)O)\N
InChI
InChI=1S/C6H7NO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,7H2,(H,8,9)(H,10,11)/b3-1-,4-2+
InChIKey
ZRHONLCTYUYMIQ-HSFFGMMNSA-N
Compound name
(2E,4Z)-2-aminohexa-2,4-dienedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

182
Patents

157.0375 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04478 133.3
[M+Na]+ 180.02672 139.4
[M+NH4]+ 175.07132 137.4
[M+K]+ 196.00066 137.9
[M-H]- 156.03022 129.0
[M+Na-2H]- 178.01217 132.8
[M]+ 157.03695 132.1
[M]- 157.03805 132.1
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

patents stripe