CID 72207522

Methyl 7h-pyrrolo[2,3-d]pyrimidine-6-carboxylate

Structural Information

Molecular Formula
C8H7N3O2
SMILES
COC(=O)C1=CC2=CN=CN=C2N1
InChI
InChI=1S/C8H7N3O2/c1-13-8(12)6-2-5-3-9-4-10-7(5)11-6/h2-4H,1H3,(H,9,10,11)
InChIKey
MPZMZNBDKQBVIV-UHFFFAOYSA-N
Compound name
methyl 7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

177.05383 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 134.5
[M+Na]+ 200.04305 147.4
[M+NH4]+ 195.08765 141.5
[M+K]+ 216.01699 144.2
[M-H]- 176.04655 133.8
[M+Na-2H]- 198.02850 140.4
[M]+ 177.05328 135.9
[M]- 177.05438 135.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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