CID 19482

3717-48-4

Structural Information

Molecular Formula

C₁₃H₂₃N

SMILES

CCCNC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C13H23N/c1-2-3-14-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,14H,2-9H2,1H3

InChIKey

HHXUWTNTZZFUGH-UHFFFAOYSA-N

Compound name

N-propyladamantan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 193.18304 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]+	194.19032	146.2
[M+Na]+	216.17226	155.2
[M+NH4]+	211.21686	159.9
[M+K]+	232.14620	144.6
[M-H]-	192.17576	145.7
[M+Na-2H]-	214.15771	144.3
[M]+	193.18249	147.5
[M]-	193.18359	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe