CID 2799752

N-hydroxy-1-oxy-nicotinamidine

Structural Information

Molecular Formula
C6H7N3O2
SMILES
C1=CC(=C[N+](=C1)[O-])C(=NO)N
InChI
InChI=1S/C6H7N3O2/c7-6(8-10)5-2-1-3-9(11)4-5/h1-4,10H,(H2,7,8)
InChIKey
QRGUYOXSVWPAGG-UHFFFAOYSA-N
Compound name
N'-hydroxy-1-oxidopyridin-1-ium-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

153.05383 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06111 126.7
[M+Na]+ 176.04305 134.0
[M-H]- 152.04655 127.7
[M+NH4]+ 171.08765 144.6
[M+K]+ 192.01699 127.5
[M+H-H2O]+ 136.05109 125.1
[M+HCOO]- 198.05203 151.2
[M+CH3COO]- 212.06768 167.7
[M+Na-2H]- 174.02850 135.8
[M]+ 153.05328 121.6
[M]- 153.05438 121.6
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

patents stripe