CID 154699490

Ns00117255

Structural Information

Molecular Formula
C10H13N3O4
SMILES
CN(C(CC(C(=O)C1=CN=CC=C1)O)O)N=O
InChI
InChI=1S/C10H13N3O4/c1-13(12-17)9(15)5-8(14)10(16)7-3-2-4-11-6-7/h2-4,6,8-9,14-15H,5H2,1H3
InChIKey
ASZSQTMQLBGNKU-UHFFFAOYSA-N
Compound name
N-(1,3-dihydroxy-4-oxo-4-pyridin-3-ylbutyl)-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0906 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.09788 150.9
[M+Na]+ 262.07982 155.2
[M-H]- 238.08332 153.0
[M+NH4]+ 257.12442 165.7
[M+K]+ 278.05376 156.0
[M+H-H2O]+ 222.08786 142.9
[M+HCOO]- 284.08880 173.2
[M+CH3COO]- 298.10445 197.1
[M+Na-2H]- 260.06527 154.6
[M]+ 239.09005 151.9
[M]- 239.09115 151.9
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.