CID 536072

N,n,o-triacetylhydroxylamine

Structural Information

Molecular Formula
C6H9NO4
SMILES
CC(=O)N(C(=O)C)OC(=O)C
InChI
InChI=1S/C6H9NO4/c1-4(8)7(5(2)9)11-6(3)10/h1-3H3
InChIKey
NGULNJDDRUSDPR-UHFFFAOYSA-N
Compound name
(diacetylamino) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

344
Patents

159.05316 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.060436 130.3
[M+Na]+ 182.042378 137.4
[M-H]- 158.045884 132.5
[M+NH4]+ 177.086983 151.6
[M+K]+ 198.016318 140.0
[M+H-H2O]+ 142.050420 125.3
[M+HCOO]- 204.051361 154.4
[M+CH3COO]- 218.067011 180.8
[M+Na-2H]- 180.027826 133.4
[M]+ 159.05261142 133.6
[M]- 159.05370858 133.6
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