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 151.2
[M+Na]+ 262.07982 158.8
[M+NH4]+ 257.12442 155.9
[M+K]+ 278.05376 157.0
[M-H]- 238.08332 150.7
[M+Na-2H]- 260.06527 155.1
[M]+ 239.09005 151.5
[M]- 239.09115 151.5
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.