CID 286649

24779-98-4

Structural Information

Molecular Formula

C₁₁H₁₉NO

SMILES

C1C2CC3CC1CC(C2)C3(CN)O

InChI

InChI=1S/C11H19NO/c12-6-11(13)9-2-7-1-8(4-9)5-10(11)3-7/h7-10,13H,1-6,12H2

InChIKey

KTBCLFLXXIIDQR-UHFFFAOYSA-N

Compound name

2-(aminomethyl)adamantan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 19
Patents: 181.14667 Da
Monoisotopic Mass: 0.8
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]+	182.153946	142.9
[M+Na]+	204.135888	145.7
[M-H]-	180.139394	136.9
[M+NH4]+	199.180493	168.9
[M+K]+	220.109828	142.2
[M+H-H2O]+	164.143930	137.9
[M+HCOO]-	226.144871	149.7
[M+CH3COO]-	240.160521	151.7
[M+Na-2H]-	202.121336	153.4
[M]+	181.14612142	140.6
[M]-	181.14721858	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe