CID 135416532

708-75-8

Structural Information

Molecular Formula
C7H7N5O
SMILES
CC1=CN=C2C(=N1)C(=O)NC(=N2)N
InChI
InChI=1S/C7H7N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h2H,1H3,(H3,8,9,11,12,13)
InChIKey
UDOGNMDURIJYQC-UHFFFAOYSA-N
Compound name
2-amino-6-methyl-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

576
Patents

177.06506 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.07234 135.3
[M+Na]+ 200.05428 149.2
[M+NH4]+ 195.09888 141.8
[M+K]+ 216.02822 144.0
[M-H]- 176.05778 135.4
[M+Na-2H]- 198.03973 141.4
[M]+ 177.06451 137.1
[M]- 177.06561 137.1
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