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 149.7
[M+Na]+ 262.07982 155.0
[M-H]- 238.08332 152.0
[M+NH4]+ 257.12442 164.5
[M+K]+ 278.05376 150.3
[M+H-H2O]+ 222.08786 146.7
[M+HCOO]- 284.08880 173.5
[M+CH3COO]- 298.10445 188.8
[M+Na-2H]- 260.06527 156.1
[M]+ 239.09005 149.6
[M]- 239.09115 149.6
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.