CID 16228187

Ethyl 3-amino-4-cyano-1-(2-methoxyethyl)-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C11H15N3O3
SMILES
CCOC(=O)C1=C(C(=CN1CCOC)C#N)N
InChI
InChI=1S/C11H15N3O3/c1-3-17-11(15)10-9(13)8(6-12)7-14(10)4-5-16-2/h7H,3-5,13H2,1-2H3
InChIKey
HDXJZTYHPROEKJ-UHFFFAOYSA-N
Compound name
ethyl 3-amino-4-cyano-1-(2-methoxyethyl)pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.11134 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11862 150.8
[M+Na]+ 260.10056 160.3
[M-H]- 236.10406 152.4
[M+NH4]+ 255.14516 166.8
[M+K]+ 276.07450 158.7
[M+H-H2O]+ 220.10860 137.1
[M+HCOO]- 282.10954 170.5
[M+CH3COO]- 296.12519 205.4
[M+Na-2H]- 258.08601 151.8
[M]+ 237.11079 149.1
[M]- 237.11189 149.1
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

No patent data available for this compound.