CID 24754830

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

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CCOC(=O)C1=C(C=C(N1)C)N
InChI
InChI=1S/C8H12N2O2/c1-3-12-8(11)7-6(9)4-5(2)10-7/h4,10H,3,9H2,1-2H3
InChIKey
OOSMAEUAYYOGKI-UHFFFAOYSA-N
Compound name
ethyl 3-amino-5-methyl-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
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

literature stripe

Patent stripe

patents stripe