CID 154699723

Ns00117462

Structural Information

Molecular Formula
C10H13N3O4
SMILES
CN(CCC(C(=O)C1=C[N+](=CC=C1)[O-])O)N=O
InChI
InChI=1S/C10H13N3O4/c1-12(11-16)6-4-9(14)10(15)8-3-2-5-13(17)7-8/h2-3,5,7,9,14H,4,6H2,1H3
InChIKey
JVFIHEHIBULHPA-UHFFFAOYSA-N
Compound name
N-[3-hydroxy-4-(1-oxidopyridin-1-ium-3-yl)-4-oxobutyl]-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0906 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.09788 149.5
[M+Na]+ 262.07982 160.0
[M+NH4]+ 257.12442 155.3
[M+K]+ 278.05376 158.8
[M-H]- 238.08332 151.0
[M+Na-2H]- 260.06527 154.1
[M]+ 239.09005 150.9
[M]- 239.09115 150.9
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

No patent data available for this compound.