CID 135407691

700-02-7

Structural Information

Molecular Formula
C5H5N5O
SMILES
C1=NC2=C(N1)C(=N)N(C=N2)O
InChI
InChI=1S/C5H5N5O/c6-4-3-5(8-1-7-3)9-2-10(4)11/h1-2,6,11H,(H,7,8)
InChIKey
PUJALHQKXFOENF-UHFFFAOYSA-N
Compound name
1-hydroxy-7H-purin-6-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

371
Patents

151.04941 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.056686 126.8
[M+Na]+ 174.038628 139.0
[M-H]- 150.042134 124.9
[M+NH4]+ 169.083233 144.3
[M+K]+ 190.012568 134.5
[M+H-H2O]+ 134.046670 119.4
[M+HCOO]- 196.047611 148.0
[M+CH3COO]- 210.063261 140.1
[M+Na-2H]- 172.024076 136.6
[M]+ 151.04886142 125.6
[M]- 151.04995858 125.6
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