CID 64152

1-adamantanol

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

C1C2CC3CC1CC(C2)(C3)O

InChI

InChI=1S/C10H16O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2

InChIKey

VLLNJDMHDJRNFK-UHFFFAOYSA-N

Compound name

adamantan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 35
References: 8824
Patents: 152.12012 Da
Monoisotopic Mass: 2.1
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	134.8
[M+Na]+	175.109338	137.8
[M-H]-	151.112844	129.5
[M+NH4]+	170.153943	162.2
[M+K]+	191.083278	134.7
[M+H-H2O]+	135.117380	129.6
[M+HCOO]-	197.118321	141.7
[M+CH3COO]-	211.133971	144.5
[M+Na-2H]-	173.094786	146.7
[M]+	152.11957142	133.2
[M]-	152.12066858	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe