CID 253819

Dimethyl 3-aminopent-2-enedioate

Structural Information

Molecular Formula
C7H11NO4
SMILES
COC(=O)CC(=CC(=O)OC)N
InChI
InChI=1S/C7H11NO4/c1-11-6(9)3-5(8)4-7(10)12-2/h3H,4,8H2,1-2H3
InChIKey
CIDSYVVJNVVERM-UHFFFAOYSA-N
Compound name
dimethyl 3-aminopent-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

173.0688 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07608 137.5
[M+Na]+ 196.05802 144.5
[M+NH4]+ 191.10262 142.5
[M+K]+ 212.03196 142.2
[M-H]- 172.06152 134.6
[M+Na-2H]- 194.04347 138.2
[M]+ 173.06825 137.0
[M]- 173.06935 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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