CID 135611800

N-hydroxyadenine 3-oxide

Structural Information

Molecular Formula
C5H5N5O2
SMILES
C1=NC2=C(N1)/C(=N\O)/N=CN2O
InChI
InChI=1S/C5H5N5O2/c11-9-4-3-5(7-1-6-3)10(12)2-8-4/h1-2,11-12H,(H,6,7)/b9-4+
InChIKey
RXVLVWXBUUDBAV-RUDMXATFSA-N
Compound name
(NE)-N-(3-hydroxy-7H-purin-6-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.04433 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.05161 129.6
[M+Na]+ 190.03355 141.6
[M-H]- 166.03705 127.7
[M+NH4]+ 185.07815 146.4
[M+K]+ 206.00749 137.7
[M+H-H2O]+ 150.04159 122.0
[M+HCOO]- 212.04253 150.9
[M+CH3COO]- 226.05818 142.7
[M+Na-2H]- 188.01900 139.4
[M]+ 167.04378 129.6
[M]- 167.04488 129.6
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.