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

67
Patents

143.05824 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 128.5
[M+Na]+ 166.04746 135.2
[M-H]- 142.05096 129.1
[M+NH4]+ 161.09206 149.6
[M+K]+ 182.02140 135.9
[M+H-H2O]+ 126.05550 123.7
[M+HCOO]- 188.05644 151.7
[M+CH3COO]- 202.07209 176.4
[M+Na-2H]- 164.03291 132.1
[M]+ 143.05769 129.1
[M]- 143.05879 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