CID 45082654

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

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CCOC(=O)C1=C(C=CN1C)N
InChI
InChI=1S/C8H12N2O2/c1-3-12-8(11)7-6(9)4-5-10(7)2/h4-5H,3,9H2,1-2H3
InChIKey
DDOZZVDOAPIJKO-UHFFFAOYSA-N
Compound name
ethyl 3-amino-1-methylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

168.08987 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.097146 135.1
[M+Na]+ 191.079088 143.9
[M-H]- 167.082594 137.6
[M+NH4]+ 186.123693 156.0
[M+K]+ 207.053028 142.8
[M+H-H2O]+ 151.087130 129.0
[M+HCOO]- 213.088071 159.5
[M+CH3COO]- 227.103721 180.8
[M+Na-2H]- 189.064536 138.2
[M]+ 168.08932142 136.3
[M]- 168.09041858 136.3
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