CID 59761555

331005-96-0

Structural Information

Molecular Formula
C7H11NO3
SMILES
CN(C)/C=C/C(=O)C(=O)OC
InChI
InChI=1S/C7H11NO3/c1-8(2)5-4-6(9)7(10)11-3/h4-5H,1-3H3/b5-4+
InChIKey
XPYJCKBYZDSVTK-SNAWJCMRSA-N
Compound name
methyl (E)-4-(dimethylamino)-2-oxobut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

157.0739 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.081176 132.2
[M+Na]+ 180.063118 139.0
[M-H]- 156.066624 134.1
[M+NH4]+ 175.107723 153.5
[M+K]+ 196.037058 140.4
[M+H-H2O]+ 140.071160 127.1
[M+HCOO]- 202.072101 156.7
[M+CH3COO]- 216.087751 182.1
[M+Na-2H]- 178.048566 135.9
[M]+ 157.07335142 135.2
[M]- 157.07444858 135.2
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