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]+ 169.09715 135.1
[M+Na]+ 191.07909 143.9
[M-H]- 167.08259 137.6
[M+NH4]+ 186.12369 156.0
[M+K]+ 207.05303 142.8
[M+H-H2O]+ 151.08713 129.0
[M+HCOO]- 213.08807 159.5
[M+CH3COO]- 227.10372 180.8
[M+Na-2H]- 189.06454 138.2
[M]+ 168.08932 136.3
[M]- 168.09042 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