CID 21876

6-n-hydroxylaminopurine

Structural Information

Molecular Formula
C5H5N5O
SMILES
C1=NC2=C(N1)C(=NC=N2)NO
InChI
InChI=1S/C5H5N5O/c11-10-5-3-4(7-1-6-3)8-2-9-5/h1-2,11H,(H2,6,7,8,9,10)
InChIKey
CBCQWVQNMGNYEO-UHFFFAOYSA-N
Compound name
N-(7H-purin-6-yl)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

71
References

1645
Patents

151.04941 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.056686 126.0
[M+Na]+ 174.038628 136.9
[M-H]- 150.042134 123.7
[M+NH4]+ 169.083233 143.1
[M+K]+ 190.012568 133.1
[M+H-H2O]+ 134.046670 118.2
[M+HCOO]- 196.047611 147.0
[M+CH3COO]- 210.063261 138.9
[M+Na-2H]- 172.024076 136.7
[M]+ 151.04886142 125.0
[M]- 151.04995858 125.0
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