CID 265827

7-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C7H8N4
SMILES
CN1C=CC2=C(N=CN=C21)N
InChI
InChI=1S/C7H8N4/c1-11-3-2-5-6(8)9-4-10-7(5)11/h2-4H,1H3,(H2,8,9,10)
InChIKey
KSOREMDAQHJJKY-UHFFFAOYSA-N
Compound name
7-methylpyrrolo[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

148.07489 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08217 126.9
[M+Na]+ 171.06411 140.7
[M+NH4]+ 166.10871 135.4
[M+K]+ 187.03805 136.5
[M-H]- 147.06761 128.4
[M+Na-2H]- 169.04956 134.1
[M]+ 148.07434 129.2
[M]- 148.07544 129.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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