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

14
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 141.2
[M+Na]+ 216.07435 151.6
[M-H]- 192.07785 143.2
[M+NH4]+ 211.11895 158.9
[M+K]+ 232.04829 149.9
[M+H-H2O]+ 176.08239 128.0
[M+HCOO]- 238.08333 161.3
[M+CH3COO]- 252.09898 198.1
[M+Na-2H]- 214.05980 142.9
[M]+ 193.08458 137.6
[M]- 193.08568 137.6
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