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: 10
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]+	182.15395	139.4
[M+Na]+	204.13589	147.8
[M+NH4]+	199.18049	152.3
[M+K]+	220.10983	139.0
[M-H]-	180.13939	137.8
[M+Na-2H]-	202.12134	136.5
[M]+	181.14612	140.1
[M]-	181.14722	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe