CID 902351

Ethyl 3-amino-4-cyano-1-methyl-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C9H11N3O2
SMILES
CCOC(=O)C1=C(C(=CN1C)C#N)N
InChI
InChI=1S/C9H11N3O2/c1-3-14-9(13)8-7(11)6(4-10)5-12(8)2/h5H,3,11H2,1-2H3
InChIKey
LXXYJUNJQOUNHJ-UHFFFAOYSA-N
Compound name
ethyl 3-amino-4-cyano-1-methylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

193.08513 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09241 141.4
[M+Na]+ 216.07435 150.8
[M+NH4]+ 211.11895 144.5
[M+K]+ 232.04829 145.2
[M-H]- 192.07785 134.3
[M+Na-2H]- 214.05980 142.5
[M]+ 193.08458 139.6
[M]- 193.08568 139.6
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