CID 3010140

Chembl4277543

Structural Information

Molecular Formula

C₁₃H₂₃N

SMILES

CC(C)(C12CC3CC(C1)CC(C3)C2)N

InChI

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

InChIKey

NDDFDYJBIHXQIC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 83
Patents: 193.18304 Da
Monoisotopic Mass: 2.8
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]+	194.19032	152.0
[M+Na]+	216.17226	153.7
[M-H]-	192.17576	146.8
[M+NH4]+	211.21686	177.9
[M+K]+	232.14620	150.5
[M+H-H2O]+	176.18030	146.7
[M+HCOO]-	238.18124	157.8
[M+CH3COO]-	252.19689	160.3
[M+Na-2H]-	214.15771	162.7
[M]+	193.18249	149.6
[M]-	193.18359	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe