CID 2835979

111749-17-8

Structural Information

Molecular Formula

C₁₂H₂₁NO

SMILES

C1C2CC3CC1CC(C2)(C3)C(CO)N

InChI

InChI=1S/C12H21NO/c13-11(7-14)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11,14H,1-7,13H2

InChIKey

HBUUJKSRVMGCEK-UHFFFAOYSA-N

Compound name

2-(1-adamantyl)-2-aminoethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 195.16231 Da
Monoisotopic Mass: 1.6
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]+	196.169586	147.9
[M+Na]+	218.151528	148.9
[M-H]-	194.155034	141.3
[M+NH4]+	213.196133	172.9
[M+K]+	234.125468	145.7
[M+H-H2O]+	178.159570	142.6
[M+HCOO]-	240.160511	153.3
[M+CH3COO]-	254.176161	155.7
[M+Na-2H]-	216.136976	157.2
[M]+	195.16176142	144.8
[M]-	195.16285858	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe