CID 135398646

1-methyladenine

Structural Information

Molecular Formula
C6H7N5
SMILES
CN1C=NC2=C(C1=N)NC=N2
InChI
InChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3,7H,1H3,(H,8,9)
InChIKey
SATCOUWSAZBIJO-UHFFFAOYSA-N
Compound name
1-methyl-7H-purin-6-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

228
References

10747
Patents

149.07014 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.077416 128.0
[M+Na]+ 172.059358 140.3
[M-H]- 148.062864 127.2
[M+NH4]+ 167.103963 146.3
[M+K]+ 188.033298 135.9
[M+H-H2O]+ 132.067400 120.2
[M+HCOO]- 194.068341 150.1
[M+CH3COO]- 208.083991 141.6
[M+Na-2H]- 170.044806 137.7
[M]+ 149.06959142 127.5
[M]- 149.07068858 127.5
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.