CID 71299230

Ethyl 7-methyl-7h-pyrrolo[2,3-d]pyrimidine-4-carboxylate

Structural Information

Molecular Formula
C10H11N3O2
SMILES
CCOC(=O)C1=C2C=CN(C2=NC=N1)C
InChI
InChI=1S/C10H11N3O2/c1-3-15-10(14)8-7-4-5-13(2)9(7)12-6-11-8/h4-6H,3H2,1-2H3
InChIKey
DCXBCKYEFKOSOL-UHFFFAOYSA-N
Compound name
ethyl 7-methylpyrrolo[2,3-d]pyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.08513 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09241 142.8
[M+Na]+ 228.07435 154.0
[M-H]- 204.07785 144.3
[M+NH4]+ 223.11895 161.1
[M+K]+ 244.04829 151.5
[M+H-H2O]+ 188.08239 135.0
[M+HCOO]- 250.08333 164.8
[M+CH3COO]- 264.09898 185.4
[M+Na-2H]- 226.05980 149.3
[M]+ 205.08458 147.8
[M]- 205.08568 147.8
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