CID 134501050

2089058-15-9

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂

SMILES

C#CCNC(=O)N1C(O1)C2=CC=CC=C2

InChI

InChI=1S/C11H10N2O2/c1-2-8-12-11(14)13-10(15-13)9-6-4-3-5-7-9/h1,3-7,10H,8H2,(H,12,14)

InChIKey

GZMDJJKCOCJXMJ-UHFFFAOYSA-N

Compound name

3-phenyl-N-prop-2-ynyloxaziridine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 202.07423 Da
Monoisotopic Mass: 1.1
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]+	203.081506	141.9
[M+Na]+	225.063448	156.9
[M-H]-	201.066954	148.1
[M+NH4]+	220.108053	153.5
[M+K]+	241.037388	150.8
[M+H-H2O]+	185.071490	130.5
[M+HCOO]-	247.072431	160.7
[M+CH3COO]-	261.088081	195.9
[M+Na-2H]-	223.048896	149.1
[M]+	202.07368142	141.1
[M]-	202.07477858	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe