CID 135415975

6-hydroxymethylpterin

Structural Information

Molecular Formula
C7H7N5O2
SMILES
C1=C(N=C2C(=O)NC(=NC2=N1)N)CO
InChI
InChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1,13H,2H2,(H3,8,9,11,12,14)
InChIKey
XGWIBNWDLMIPNF-UHFFFAOYSA-N
Compound name
2-amino-6-(hydroxymethyl)-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

37
References

135
Patents

193.05997 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.06725 140.8
[M+Na]+ 216.04919 152.0
[M-H]- 192.05269 138.0
[M+NH4]+ 211.09379 154.5
[M+K]+ 232.02313 147.0
[M+H-H2O]+ 176.05723 132.8
[M+HCOO]- 238.05817 158.5
[M+CH3COO]- 252.07382 152.3
[M+Na-2H]- 214.03464 149.6
[M]+ 193.05942 138.9
[M]- 193.06052 138.9
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