CID 150097

4-(methylnitrosamino)-1-(3-pyridyl-n-oxide)-1-butanol

Structural Information

Molecular Formula
C10H15N3O3
SMILES
CN(CCCC(C1=C[N+](=CC=C1)[O-])O)N=O
InChI
InChI=1S/C10H15N3O3/c1-12(11-15)6-3-5-10(14)9-4-2-7-13(16)8-9/h2,4,7-8,10,14H,3,5-6H2,1H3
InChIKey
DKBKTKUNVONEGX-UHFFFAOYSA-N
Compound name
N-[4-hydroxy-4-(1-oxidopyridin-1-ium-3-yl)butyl]-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

13
Patents

225.11134 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.11862 147.7
[M+Na]+ 248.10056 159.1
[M+NH4]+ 243.14516 154.5
[M+K]+ 264.07450 156.5
[M-H]- 224.10406 150.2
[M+Na-2H]- 246.08601 153.2
[M]+ 225.11079 149.7
[M]- 225.11189 149.7
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

patents stripe