CID 135406872

2-amino-6,7-dimethyl-5,6,7,8-tetrahydropteridin-4-ol hydrochloride

Structural Information

Molecular Formula
C8H13N5O
SMILES
CC1C(NC2=C(N1)C(=O)NC(=N2)N)C
InChI
InChI=1S/C8H13N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h3-4,10H,1-2H3,(H4,9,11,12,13,14)
InChIKey
ARHXUJTYUBUXBB-UHFFFAOYSA-N
Compound name
2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

695
Patents

195.11201 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.11929 147.7
[M+Na]+ 218.10123 157.1
[M-H]- 194.10473 143.0
[M+NH4]+ 213.14583 160.8
[M+K]+ 234.07517 151.0
[M+H-H2O]+ 178.10927 140.2
[M+HCOO]- 240.11021 160.4
[M+CH3COO]- 254.12586 157.3
[M+Na-2H]- 216.08668 152.4
[M]+ 195.11146 140.5
[M]- 195.11256 140.5
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