CID 4912940

2260932-54-3

Structural Information

Molecular Formula

C₁₇H₂₃N

SMILES

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

InChI

InChI=1S/C17H23N/c18-16(15-4-2-1-3-5-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14,16H,6-11,18H2

InChIKey

RKXNBHCKARUOTD-UHFFFAOYSA-N

Compound name

1-adamantyl(phenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.18304 Da
Monoisotopic Mass: 3.7
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]+	242.19032	156.7
[M+Na]+	264.17226	167.2
[M+NH4]+	259.21686	170.7
[M+K]+	280.14620	156.3
[M-H]-	240.17576	158.5
[M+Na-2H]-	262.15771	157.1
[M]+	241.18249	158.9
[M]-	241.18359	158.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.