CID 98371

Oxaziridine, 2-(1,1-dimethylethyl)-3-phenyl-

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC(C)(C)N1C(O1)C2=CC=CC=C2

InChI

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

InChIKey

YFBUTSZDUOMTAP-UHFFFAOYSA-N

Compound name

2-tert-butyl-3-phenyloxaziridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
Patents: 177.11537 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]+	178.12265	140.9
[M+Na]+	200.10459	151.0
[M-H]-	176.10809	148.2
[M+NH4]+	195.14919	154.2
[M+K]+	216.07853	149.7
[M+H-H2O]+	160.11263	133.8
[M+HCOO]-	222.11357	161.9
[M+CH3COO]-	236.12922	184.6
[M+Na-2H]-	198.09004	149.2
[M]+	177.11482	144.9
[M]-	177.11592	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe