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]+ 156.065516 133.1
[M+Na]+ 178.047458 139.3
[M-H]- 154.050964 131.6
[M+NH4]+ 173.092063 152.6
[M+K]+ 194.021398 137.8
[M+H-H2O]+ 138.055500 128.4
[M+HCOO]- 200.056441 154.0
[M+CH3COO]- 214.072091 175.4
[M+Na-2H]- 176.032906 134.5
[M]+ 155.05769142 130.4
[M]- 155.05878858 130.4
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.