CID 4390

3376-24-7

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC(C)(C)[N+](=CC1=CC=CC=C1)[O-]

InChI

InChI=1S/C11H15NO/c1-11(2,3)12(13)9-10-7-5-4-6-8-10/h4-9H,1-3H3

InChIKey

IYSYLWYGCWTJSG-UHFFFAOYSA-N

Compound name

N-tert-butyl-1-phenylmethanimine oxide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 652
References: 2157
Patents: 177.11537 Da
Monoisotopic Mass: 1.3
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]+	178.12265	139.7
[M+Na]+	200.10459	146.0
[M-H]-	176.10809	143.4
[M+NH4]+	195.14919	159.4
[M+K]+	216.07853	139.9
[M+H-H2O]+	160.11263	139.1
[M+HCOO]-	222.11357	163.2
[M+CH3COO]-	236.12922	175.8
[M+Na-2H]-	198.09004	148.4
[M]+	177.11482	137.4
[M]-	177.11592	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe