CID 38375

Adamantylamphetamine

Structural Information

Molecular Formula

C₁₃H₂₃N

SMILES

CC(CC12CC3CC(C1)CC(C3)C2)N

InChI

InChI=1S/C13H23N/c1-9(14)5-13-6-10-2-11(7-13)4-12(3-10)8-13/h9-12H,2-8,14H2,1H3

InChIKey

IZRZEBNCIWGCDK-UHFFFAOYSA-N

Compound name

1-(1-adamantyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 22
Patents: 193.18304 Da
Monoisotopic Mass: 3.5
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]+	194.190316	149.5
[M+Na]+	216.172258	150.5
[M-H]-	192.175764	144.0
[M+NH4]+	211.216863	175.2
[M+K]+	232.146198	147.2
[M+H-H2O]+	176.180300	143.6
[M+HCOO]-	238.181241	155.8
[M+CH3COO]-	252.196891	157.6
[M+Na-2H]-	214.157706	158.2
[M]+	193.18249142	146.8
[M]-	193.18358858	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe