CID 135399180

2-amino-6,7-dimethylpteridin-4-ol

Structural Information

Molecular Formula
C8H9N5O
SMILES
CC1=C(N=C2C(=N1)C(=O)NC(=N2)N)C
InChI
InChI=1S/C8H9N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h1-2H3,(H3,9,11,12,13,14)
InChIKey
ZKWZUPPXTCQQJL-UHFFFAOYSA-N
Compound name
2-amino-6,7-dimethyl-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

76
Patents

191.0807 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.087976 143.1
[M+Na]+ 214.069918 155.4
[M-H]- 190.073424 141.8
[M+NH4]+ 209.114523 158.0
[M+K]+ 230.043858 150.4
[M+H-H2O]+ 174.077960 135.1
[M+HCOO]- 236.078901 161.7
[M+CH3COO]- 250.094551 155.3
[M+Na-2H]- 212.055366 150.9
[M]+ 191.08015142 142.3
[M]- 191.08124858 142.3
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