CID 205194

17583-77-6

Structural Information

Molecular Formula

C₁₁H₁₄N₃O₂

SMILES

CC(C(C1=CC=CC=C1)O)[N+]2=NOC(=C2)N

InChI

InChI=1S/C11H14N3O2/c1-8(14-7-10(12)16-13-14)11(15)9-5-3-2-4-6-9/h2-8,11,15H,12H2,1H3/q+1

InChIKey

NLBSYRSJITTWDQ-UHFFFAOYSA-N

Compound name

2-(5-aminooxadiazol-3-ium-3-yl)-1-phenylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 220.1086 Da
Monoisotopic Mass: 1.4
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]+	221.11588	145.8
[M+Na]+	243.09782	158.9
[M+NH4]+	238.14242	153.6
[M+K]+	259.07176	157.5
[M-H]-	219.10132	150.6
[M+Na-2H]-	241.08327	152.9
[M]+	220.10805	149.1
[M]-	220.10915	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe