CID 70315

1-methylguanine

Structural Information

Molecular Formula
C6H7N5O
SMILES
CN1C(=O)C2=C(N=CN2)N=C1N
InChI
InChI=1S/C6H7N5O/c1-11-5(12)3-4(9-2-8-3)10-6(11)7/h2H,1H3,(H2,7,10)(H,8,9)
InChIKey
RFLVMTUMFYRZCB-UHFFFAOYSA-N
Compound name
2-amino-1-methyl-7H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

31
References

32159
Patents

165.06506 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.07234 130.8
[M+Na]+ 188.05428 143.8
[M+NH4]+ 183.09888 137.2
[M+K]+ 204.02822 141.1
[M-H]- 164.05778 130.2
[M+Na-2H]- 186.03973 136.2
[M]+ 165.06451 132.1
[M]- 165.06561 132.1
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

patents stripe