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]+ 238.118616 150.8
[M+Na]+ 260.100558 160.3
[M-H]- 236.104064 152.4
[M+NH4]+ 255.145163 166.8
[M+K]+ 276.074498 158.7
[M+H-H2O]+ 220.108600 137.1
[M+HCOO]- 282.109541 170.5
[M+CH3COO]- 296.125191 205.4
[M+Na-2H]- 258.086006 151.8
[M]+ 237.11079142 149.1
[M]- 237.11188858 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.