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]+ 266.113536 158.1
[M+Na]+ 288.095478 163.1
[M-H]- 264.098984 162.6
[M+NH4]+ 283.140083 173.4
[M+K]+ 304.069418 163.9
[M+H-H2O]+ 248.103520 149.2
[M+HCOO]- 310.104461 184.0
[M+CH3COO]- 324.120111 205.5
[M+Na-2H]- 286.080926 163.0
[M]+ 265.10571142 163.5
[M]- 265.10680858 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.