CID 66545092

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

Structural Information

Molecular Formula
C9H9N3O2
SMILES
CCOC(=O)C1=C2C=CNC2=NC=N1
InChI
InChI=1S/C9H9N3O2/c1-2-14-9(13)7-6-3-4-10-8(6)12-5-11-7/h3-5H,2H2,1H3,(H,10,11,12)
InChIKey
WNWIDMDDPSFGQP-UHFFFAOYSA-N
Compound name
ethyl 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

191.06947 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07675 138.6
[M+Na]+ 214.05869 149.0
[M-H]- 190.06219 138.5
[M+NH4]+ 209.10329 156.5
[M+K]+ 230.03263 145.9
[M+H-H2O]+ 174.06673 131.0
[M+HCOO]- 236.06767 159.5
[M+CH3COO]- 250.08332 178.7
[M+Na-2H]- 212.04414 146.0
[M]+ 191.06892 141.1
[M]- 191.07002 141.1
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