CID 64583

Oxphaman

Structural Information

Molecular Formula

C₁₇H₂₁NO₂

SMILES

C1C2CC3CC1CC(C2)(C3)N=CC4=C(C=CC(=C4)O)O

InChI

InChI=1S/C17H21NO2/c19-15-1-2-16(20)14(6-15)10-18-17-7-11-3-12(8-17)5-13(4-11)9-17/h1-2,6,10-13,19-20H,3-5,7-9H2

InChIKey

KSFHABYHDIUGKU-UHFFFAOYSA-N

Compound name

2-(1-adamantyliminomethyl)benzene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 271.15723 Da
Monoisotopic Mass: 3.4
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]+	272.16451	160.4
[M+Na]+	294.14645	170.9
[M+NH4]+	289.19105	173.0
[M+K]+	310.12039	160.6
[M-H]-	270.14995	161.0
[M+Na-2H]-	292.13190	159.8
[M]+	271.15668	162.2
[M]-	271.15778	162.2

Literature stripe

literature stripe

Patent stripe

patents stripe