CID 57357177

99059-91-3

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

C1C(CC1=NO)C2=CC=CC=C2

InChI

InChI=1S/C10H11NO/c12-11-10-6-9(7-10)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2

InChIKey

ZRSRYYWZHNJBNH-UHFFFAOYSA-N

Compound name

N-(3-phenylcyclobutylidene)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 161.08406 Da
Monoisotopic Mass: 1.7
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]+	162.09134	129.3
[M+Na]+	184.07328	135.2
[M-H]-	160.07678	136.0
[M+NH4]+	179.11788	143.3
[M+K]+	200.04722	136.1
[M+H-H2O]+	144.08132	117.8
[M+HCOO]-	206.08226	153.3
[M+CH3COO]-	220.09791	182.3
[M+Na-2H]-	182.05873	136.5
[M]+	161.08351	135.7
[M]-	161.08461	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe