CID 135403820

7,8-dihydro-7,7-dimethyl-6-hydroxypterin

Structural Information

Molecular Formula
C8H11N5O2
SMILES
CC1(C(=O)NC2=C(N1)N=C(NC2=O)N)C
InChI
InChI=1S/C8H11N5O2/c1-8(2)6(15)10-3-4(13-8)11-7(9)12-5(3)14/h1-2H3,(H,10,15)(H4,9,11,12,13,14)
InChIKey
JMLQSLXEUWNWFI-UHFFFAOYSA-N
Compound name
2-amino-7,7-dimethyl-5,8-dihydro-3H-pteridine-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

209.09128 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09856 148.6
[M+Na]+ 232.08050 159.2
[M-H]- 208.08400 144.3
[M+NH4]+ 227.12510 163.1
[M+K]+ 248.05444 153.5
[M+H-H2O]+ 192.08854 141.8
[M+HCOO]- 254.08948 161.8
[M+CH3COO]- 268.10513 182.1
[M+Na-2H]- 230.06595 154.7
[M]+ 209.09073 142.6
[M]- 209.09183 142.6
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