CID 3266970

883792-92-5

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₅

SMILES

CC(C)(C)N(C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C10H13N3O5/c1-10(2,3)11(14)7-4-8(12(15)16)6-9(5-7)13(17)18/h4-6,14H,1-3H3

InChIKey

RPZBVEGAKUDYFE-UHFFFAOYSA-N

Compound name

N-tert-butyl-N-(3,5-dinitrophenyl)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 255.08553 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	256.092806	152.1
[M+Na]+	278.074748	157.2
[M-H]-	254.078254	156.1
[M+NH4]+	273.119353	166.7
[M+K]+	294.048688	148.9
[M+H-H2O]+	238.082790	155.0
[M+HCOO]-	300.083731	176.4
[M+CH3COO]-	314.099381	187.1
[M+Na-2H]-	276.060196	161.4
[M]+	255.08498142	149.7
[M]-	255.08607858	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe