CID 18405219

Ethyl 1-methyl-1,4-dihydropyrrolo[2,3-d]imidazole-5-carboxylate

Structural Information

Molecular Formula
C9H11N3O2
SMILES
CCOC(=O)C1=CC2=C(N1)N=CN2C
InChI
InChI=1S/C9H11N3O2/c1-3-14-9(13)6-4-7-8(11-6)10-5-12(7)2/h4-5,11H,3H2,1-2H3
InChIKey
LFXLJOPHDNXJGF-UHFFFAOYSA-N
Compound name
ethyl 1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

193.08513 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 140.7
[M+Na]+ 216.074348 151.6
[M-H]- 192.077854 141.2
[M+NH4]+ 211.118953 160.6
[M+K]+ 232.048288 149.2
[M+H-H2O]+ 176.082390 133.8
[M+HCOO]- 238.083331 162.3
[M+CH3COO]- 252.098981 180.2
[M+Na-2H]- 214.059796 144.5
[M]+ 193.08458142 144.3
[M]- 193.08567858 144.3
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