CID 154699677

Ns00117422

Structural Information

Molecular Formula
C10H13N3O3
SMILES
CN(CC[C@@H](C(=O)C1=CN=CC=C1)O)N=O
InChI
InChI=1S/C10H13N3O3/c1-13(12-16)6-4-9(14)10(15)8-3-2-5-11-7-8/h2-3,5,7,9,14H,4,6H2,1H3/t9-/m0/s1
InChIKey
IJGFYZIMQQPUTE-VIFPVBQESA-N
Compound name
N-[(3S)-3-hydroxy-4-oxo-4-pyridin-3-ylbutyl]-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

223.09569 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.102966 147.9
[M+Na]+ 246.084908 153.1
[M-H]- 222.088414 151.3
[M+NH4]+ 241.129513 164.2
[M+K]+ 262.058848 153.5
[M+H-H2O]+ 206.092950 139.7
[M+HCOO]- 268.093891 172.5
[M+CH3COO]- 282.109541 196.4
[M+Na-2H]- 244.070356 153.2
[M]+ 223.09514142 150.0
[M]- 223.09623858 150.0
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.