CID 79261327

9-((6-methylpyridin-2-yl)methyl)-9h-purin-6-amine

Structural Information

Molecular Formula
C12H12N6
SMILES
CC1=NC(=CC=C1)CN2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C12H12N6/c1-8-3-2-4-9(17-8)5-18-7-16-10-11(13)14-6-15-12(10)18/h2-4,6-7H,5H2,1H3,(H2,13,14,15)
InChIKey
TYCVQUWDSRQMKN-UHFFFAOYSA-N
Compound name
9-[(6-methylpyridin-2-yl)methyl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.11235 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11963 154.8
[M+Na]+ 263.10157 166.8
[M-H]- 239.10507 156.7
[M+NH4]+ 258.14617 168.2
[M+K]+ 279.07551 160.7
[M+H-H2O]+ 223.10961 144.4
[M+HCOO]- 285.11055 175.4
[M+CH3COO]- 299.12620 166.7
[M+Na-2H]- 261.08702 162.3
[M]+ 240.11180 156.3
[M]- 240.11290 156.3
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

No patent data available for this compound.