CID 13041142

5,6-dimethyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C8H10N4
SMILES
CC1=C(NC2=NC=NC(=C12)N)C
InChI
InChI=1S/C8H10N4/c1-4-5(2)12-8-6(4)7(9)10-3-11-8/h3H,1-2H3,(H3,9,10,11,12)
InChIKey
PXHWVPTTWWSNJU-UHFFFAOYSA-N
Compound name
5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

162.09055 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09783 133.3
[M+Na]+ 185.07977 145.3
[M-H]- 161.08327 133.5
[M+NH4]+ 180.12437 152.6
[M+K]+ 201.05371 140.9
[M+H-H2O]+ 145.08781 126.3
[M+HCOO]- 207.08875 155.3
[M+CH3COO]- 221.10440 147.0
[M+Na-2H]- 183.06522 140.3
[M]+ 162.09000 133.1
[M]- 162.09110 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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