CID 5708867

67751-14-8

Structural Information

Molecular Formula
C8H13NO3
SMILES
CCOC(=O)C(=O)/C=C/N(C)C
InChI
InChI=1S/C8H13NO3/c1-4-12-8(11)7(10)5-6-9(2)3/h5-6H,4H2,1-3H3/b6-5+
InChIKey
GTCBVGDJIQFBFF-AATRIKPKSA-N
Compound name
ethyl (E)-4-(dimethylamino)-2-oxobut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
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 137.0
[M+Na]+ 194.078758 143.3
[M-H]- 170.082264 138.7
[M+NH4]+ 189.123363 157.7
[M+K]+ 210.052698 144.4
[M+H-H2O]+ 154.086800 131.6
[M+HCOO]- 216.087741 161.1
[M+CH3COO]- 230.103391 185.1
[M+Na-2H]- 192.064206 140.1
[M]+ 171.08899142 140.3
[M]- 171.09008858 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

literature stripe

Patent stripe

patents stripe