CID 3336608

N-tert-butyl-n-nitrosoaniline

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

CC(C)(C)N(C1=CC=CC=C1)N=O

InChI

InChI=1S/C10H14N2O/c1-10(2,3)12(11-13)9-7-5-4-6-8-9/h4-8H,1-3H3

InChIKey

RYNVJEJSRDCKMF-UHFFFAOYSA-N

Compound name

N-tert-butyl-N-phenylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 178.11061 Da
Monoisotopic Mass: 2.7
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]+	179.117886	138.1
[M+Na]+	201.099828	144.7
[M-H]-	177.103334	144.6
[M+NH4]+	196.144433	159.0
[M+K]+	217.073768	145.2
[M+H-H2O]+	161.107870	131.6
[M+HCOO]-	223.108811	165.3
[M+CH3COO]-	237.124461	191.0
[M+Na-2H]-	199.085276	146.8
[M]+	178.11006142	140.2
[M]-	178.11115858	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe