CID 101513

7269-57-0

Structural Information

Molecular Formula
C5H6N6O
SMILES
C1=NC2=C(N1)C(=NC(=N2)N)NO
InChI
InChI=1S/C5H6N6O/c6-5-9-3-2(7-1-8-3)4(10-5)11-12/h1,12H,(H4,6,7,8,9,10,11)
InChIKey
UJUHACUYECLPGK-UHFFFAOYSA-N
Compound name
N-(2-amino-7H-purin-6-yl)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

29
References

268
Patents

166.0603 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.067576 129.6
[M+Na]+ 189.049518 140.6
[M-H]- 165.053024 127.4
[M+NH4]+ 184.094123 145.9
[M+K]+ 205.023458 136.5
[M+H-H2O]+ 149.057560 121.9
[M+HCOO]- 211.058501 151.1
[M+CH3COO]- 225.074151 142.2
[M+Na-2H]- 187.034966 139.3
[M]+ 166.05975142 127.5
[M]- 166.06084858 127.5
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