CID 73885078

Methyl 4-(dimethylamino)-3-methyl-2-oxo-3-butenoate

Structural Information

Molecular Formula
C8H13NO3
SMILES
CC(=CN(C)C)C(=O)C(=O)OC
InChI
InChI=1S/C8H13NO3/c1-6(5-9(2)3)7(10)8(11)12-4/h5H,1-4H3
InChIKey
ODJWADQGOAHRFB-UHFFFAOYSA-N
Compound name
methyl 4-(dimethylamino)-3-methyl-2-oxobut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

171.08954 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 136.9
[M+Na]+ 194.078758 143.0
[M-H]- 170.082264 138.7
[M+NH4]+ 189.123363 157.5
[M+K]+ 210.052698 144.6
[M+H-H2O]+ 154.086800 131.6
[M+HCOO]- 216.087741 160.0
[M+CH3COO]- 230.103391 186.1
[M+Na-2H]- 192.064206 138.8
[M]+ 171.08899142 139.6
[M]- 171.09008858 139.6
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