CID 10333308

144054-70-6

Structural Information

Molecular Formula

C₁₈H₂₃NO

SMILES

CC(C)(C)[C@@H](C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N

InChI

InChI=1S/C18H23NO/c1-17(2,3)16(19)18(20,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16,20H,19H2,1-3H3/t16-/m0/s1

InChIKey

HZIHDWNOPKIOCK-INIZCTEOSA-N

Compound name

(2S)-2-amino-3,3-dimethyl-1,1-diphenylbutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 269.17798 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]+	270.185256	165.4
[M+Na]+	292.167198	169.6
[M-H]-	268.170704	169.7
[M+NH4]+	287.211803	180.2
[M+K]+	308.141138	165.6
[M+H-H2O]+	252.175240	158.6
[M+HCOO]-	314.176181	183.4
[M+CH3COO]-	328.191831	198.8
[M+Na-2H]-	290.152646	170.6
[M]+	269.17743142	162.1
[M]-	269.17852858	162.1

Literature stripe

literature stripe

Patent stripe

patents stripe