CID 3010111

19984-59-9

Structural Information

Molecular Formula

C₁₃H₂₃NO

SMILES

C1C2CC3CC1CC(C2)(C3)NCCCO

InChI

InChI=1S/C13H23NO/c15-3-1-2-14-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,14-15H,1-9H2

InChIKey

SSRIXWYBKABTAQ-UHFFFAOYSA-N

Compound name

3-(1-adamantylamino)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 209.17796 Da
Monoisotopic Mass: 2.7
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]+	210.18524	149.5
[M+Na]+	232.16718	150.4
[M-H]-	208.17068	143.2
[M+NH4]+	227.21178	174.3
[M+K]+	248.14112	146.8
[M+H-H2O]+	192.17522	143.7
[M+HCOO]-	254.17616	156.3
[M+CH3COO]-	268.19181	157.4
[M+Na-2H]-	230.15263	160.6
[M]+	209.17741	148.3
[M]-	209.17851	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe