CID 119598

127686-49-1

Structural Information

Molecular Formula
C12H15N3O4
SMILES
CC(=O)OCN(CCCC(=O)C1=CN=CC=C1)N=O
InChI
InChI=1S/C12H15N3O4/c1-10(16)19-9-15(14-18)7-3-5-12(17)11-4-2-6-13-8-11/h2,4,6,8H,3,5,7,9H2,1H3
InChIKey
PGOGEOISASKDLL-UHFFFAOYSA-N
Compound name
[nitroso-(4-oxo-4-pyridin-3-ylbutyl)amino]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29
References

0
Patents

265.10626 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11354 158.1
[M+Na]+ 288.09548 163.1
[M-H]- 264.09898 162.6
[M+NH4]+ 283.14008 173.4
[M+K]+ 304.06942 163.9
[M+H-H2O]+ 248.10352 149.2
[M+HCOO]- 310.10446 184.0
[M+CH3COO]- 324.12011 205.5
[M+Na-2H]- 286.08093 163.0
[M]+ 265.10571 163.5
[M]- 265.10681 163.5
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.