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 133.1
[M+Na]+ 178.04746 139.3
[M-H]- 154.05096 131.6
[M+NH4]+ 173.09206 152.6
[M+K]+ 194.02140 137.8
[M+H-H2O]+ 138.05550 128.4
[M+HCOO]- 200.05644 154.0
[M+CH3COO]- 214.07209 175.4
[M+Na-2H]- 176.03291 134.5
[M]+ 155.05769 130.4
[M]- 155.05879 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.