CID 122706154

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

Structural Information

Molecular Formula
C7H9NO3
SMILES
C/C(=C\C=C(\C(=O)O)/N)/C=O
InChI
InChI=1S/C7H9NO3/c1-5(4-9)2-3-6(8)7(10)11/h2-4H,8H2,1H3,(H,10,11)/b5-2+,6-3-
InChIKey
RJEIXJLDJPPFTI-JGJYBARTSA-N
Compound name
(2Z,4E)-2-amino-5-methyl-6-oxohexa-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

155.05824 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 134.4
[M+Na]+ 178.04746 141.4
[M+NH4]+ 173.09206 139.4
[M+K]+ 194.02140 138.8
[M-H]- 154.05096 131.2
[M+Na-2H]- 176.03291 134.8
[M]+ 155.05769 133.8
[M]- 155.05879 133.8
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

No patent data available for this compound.