CID 135476778

70110-58-6

Structural Information

Molecular Formula
C9H15N5O4
SMILES
CC(C(C1CN=C2C(N1)(C(=O)NC(=N2)N)O)O)O
InChI
InChI=1S/C9H15N5O4/c1-3(15)5(16)4-2-11-6-9(18,14-4)7(17)13-8(10)12-6/h3-5,14-16,18H,2H2,1H3,(H3,10,11,12,13,17)
InChIKey
KJKIEFUPAPPGBC-UHFFFAOYSA-N
Compound name
2-amino-6-(1,2-dihydroxypropyl)-4a-hydroxy-3,5,6,7-tetrahydropteridin-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

54
Patents

257.1124 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.119676 159.7
[M+Na]+ 280.101618 165.8
[M-H]- 256.105124 152.0
[M+NH4]+ 275.146223 170.1
[M+K]+ 296.075558 161.8
[M+H-H2O]+ 240.109660 153.1
[M+HCOO]- 302.110601 166.4
[M+CH3COO]- 316.126251 187.6
[M+Na-2H]- 278.087066 162.3
[M]+ 257.11185142 151.1
[M]- 257.11294858 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.