CID 35998

31897-98-0

Structural Information

Molecular Formula

C₁₃H₂₃N

SMILES

C1C2CC3CC1CC(C2)(C3)CCCN

InChI

InChI=1S/C13H23N/c14-3-1-2-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,1-9,14H2

InChIKey

HNXIGOCDOCHMQV-UHFFFAOYSA-N

Compound name

3-(1-adamantyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 2
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]+	194.19032	146.2
[M+Na]+	216.17226	154.8
[M+NH4]+	211.21686	159.7
[M+K]+	232.14620	144.5
[M-H]-	192.17576	145.5
[M+Na-2H]-	214.15771	143.9
[M]+	193.18249	147.3
[M]-	193.18359	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe