CID 64149

2-adamantanol

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

C1C2CC3CC1CC(C2)C3O

InChI

InChI=1S/C10H16O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-11H,1-5H2

InChIKey

FOWDOWQYRZXQDP-UHFFFAOYSA-N

Compound name

adamantan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 17
References: 3387
Patents: 152.12012 Da
Monoisotopic Mass: 1.9
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]+	153.127396	133.0
[M+Na]+	175.109338	135.7
[M-H]-	151.112844	127.8
[M+NH4]+	170.153943	158.8
[M+K]+	191.083278	132.9
[M+H-H2O]+	135.117380	128.5
[M+HCOO]-	197.118321	140.1
[M+CH3COO]-	211.133971	142.7
[M+Na-2H]-	173.094786	143.7
[M]+	152.11957142	131.6
[M]-	152.12066858	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe