CID 2777802

4-dimethylamino-2-oxo-but-3-enoic acid ethyl ester

Structural Information

Molecular Formula
C8H13NO3
SMILES
CCOC(=O)C(=O)C=CN(C)C
InChI
InChI=1S/C8H13NO3/c1-4-12-8(11)7(10)5-6-9(2)3/h5-6H,4H2,1-3H3
InChIKey
GTCBVGDJIQFBFF-UHFFFAOYSA-N
Compound name
ethyl 4-(dimethylamino)-2-oxobut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

171.08954 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 137.0
[M+Na]+ 194.07876 143.3
[M-H]- 170.08226 138.7
[M+NH4]+ 189.12336 157.7
[M+K]+ 210.05270 144.4
[M+H-H2O]+ 154.08680 131.6
[M+HCOO]- 216.08774 161.1
[M+CH3COO]- 230.10339 185.1
[M+Na-2H]- 192.06421 140.1
[M]+ 171.08899 140.3
[M]- 171.09009 140.3
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