CID 14144333

Ethyl 2-amino-5-methyl-1h-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CCOC(=O)C1=C(NC(=C1)C)N
InChI
InChI=1S/C8H12N2O2/c1-3-12-8(11)6-4-5(2)10-7(6)9/h4,10H,3,9H2,1-2H3
InChIKey
CUBCXZWPAGUJPA-UHFFFAOYSA-N
Compound name
ethyl 2-amino-5-methyl-1H-pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

168.08987 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.097146 135.9
[M+Na]+ 191.079088 144.2
[M-H]- 167.082594 137.0
[M+NH4]+ 186.123693 156.0
[M+K]+ 207.053028 142.2
[M+H-H2O]+ 151.087130 129.9
[M+HCOO]- 213.088071 158.7
[M+CH3COO]- 227.103721 178.3
[M+Na-2H]- 189.064536 138.5
[M]+ 168.08932142 135.2
[M]- 168.09041858 135.2
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