CID 13291731

22635-61-6

Structural Information

Molecular Formula

C₁₁H₁₈O

SMILES

C1C2CC3CC1CC(C2)C3CO

InChI

InChI=1S/C11H18O/c12-6-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-12H,1-6H2

InChIKey

DBUJFSXRBAWWSM-UHFFFAOYSA-N

Compound name

2-adamantylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 166.13577 Da
Monoisotopic Mass: 2.9
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]+	167.14305	137.7
[M+Na]+	189.12499	139.9
[M-H]-	165.12849	132.2
[M+NH4]+	184.16959	162.9
[M+K]+	205.09893	136.9
[M+H-H2O]+	149.13303	133.0
[M+HCOO]-	211.13397	144.4
[M+CH3COO]-	225.14962	147.0
[M+Na-2H]-	187.11044	147.9
[M]+	166.13522	136.6
[M]-	166.13632	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe