CID 3040951

Sydnone, 4-isopropyl-3-phenyl-

Structural Information

Molecular Formula

C₁₁H₁₃N₂O₂

SMILES

CC(C)C1=[N+](NOC1=O)C2=CC=CC=C2

InChI

InChI=1S/C11H12N2O2/c1-8(2)10-11(14)15-12-13(10)9-6-4-3-5-7-9/h3-8H,1-2H3/p+1

InChIKey

AHGHATWVADBICH-UHFFFAOYSA-O

Compound name

3-phenyl-4-propan-2-yl-2H-oxadiazol-3-ium-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 205.0977 Da
Monoisotopic Mass: 3.0
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]+	206.10498	141.5
[M+Na]+	228.08692	157.0
[M+NH4]+	223.13152	149.8
[M+K]+	244.06086	154.2
[M-H]-	204.09042	146.3
[M+Na-2H]-	226.07237	149.3
[M]+	205.09715	145.3
[M]-	205.09825	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe