CID 5474873

57687-94-2

Structural Information

Molecular Formula
C6H9NO3
SMILES
CN(C)C(=O)/C=C/C(=O)O
InChI
InChI=1S/C6H9NO3/c1-7(2)5(8)3-4-6(9)10/h3-4H,1-2H3,(H,9,10)/b4-3+
InChIKey
UWVCKXVPDINNHW-ONEGZZNKSA-N
Compound name
(E)-4-(dimethylamino)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

143.05824 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.065516 128.5
[M+Na]+ 166.047458 135.2
[M-H]- 142.050964 129.1
[M+NH4]+ 161.092063 149.6
[M+K]+ 182.021398 135.9
[M+H-H2O]+ 126.055500 123.7
[M+HCOO]- 188.056441 151.7
[M+CH3COO]- 202.072091 176.4
[M+Na-2H]- 164.032906 132.1
[M]+ 143.05769142 129.1
[M]- 143.05878858 129.1
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

patents stripe