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

80
Patents

168.08987 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 135.9
[M+Na]+ 191.07909 144.2
[M-H]- 167.08259 137.0
[M+NH4]+ 186.12369 156.0
[M+K]+ 207.05303 142.2
[M+H-H2O]+ 151.08713 129.9
[M+HCOO]- 213.08807 158.7
[M+CH3COO]- 227.10372 178.3
[M+Na-2H]- 189.06454 138.5
[M]+ 168.08932 135.2
[M]- 168.09042 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