CID 136176976

1-hydroxy-2-oxopropyl tetrahydropterin

Structural Information

Molecular Formula
C9H13N5O3
SMILES
CC(=O)C(C1CNC2=C(N1)C(=O)NC(=N2)N)O
InChI
InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h4,6,12,16H,2H2,1H3,(H4,10,11,13,14,17)
InChIKey
PSNIIJBQEZDDMR-UHFFFAOYSA-N
Compound name
2-amino-6-(1-hydroxy-2-oxopropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.10184 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10912 154.9
[M+Na]+ 262.09106 161.9
[M-H]- 238.09456 148.6
[M+NH4]+ 257.13566 164.9
[M+K]+ 278.06500 156.6
[M+H-H2O]+ 222.09910 147.4
[M+HCOO]- 284.10004 164.5
[M+CH3COO]- 298.11569 186.5
[M+Na-2H]- 260.07651 157.5
[M]+ 239.10129 146.9
[M]- 239.10239 146.9
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.