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]+ 168.051606 129.6
[M+Na]+ 190.033548 141.6
[M-H]- 166.037054 127.7
[M+NH4]+ 185.078153 146.4
[M+K]+ 206.007488 137.7
[M+H-H2O]+ 150.041590 122.0
[M+HCOO]- 212.042531 150.9
[M+CH3COO]- 226.058181 142.7
[M+Na-2H]- 188.018996 139.4
[M]+ 167.04378142 129.6
[M]- 167.04487858 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.