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]+ 240.097876 149.7
[M+Na]+ 262.079818 155.0
[M-H]- 238.083324 152.0
[M+NH4]+ 257.124423 164.5
[M+K]+ 278.053758 150.3
[M+H-H2O]+ 222.087860 146.7
[M+HCOO]- 284.088801 173.5
[M+CH3COO]- 298.104451 188.8
[M+Na-2H]- 260.065266 156.1
[M]+ 239.09005142 149.6
[M]- 239.09114858 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.