CID 590284

4,4-dimethyladamantan-2-ol

Structural Information

Molecular Formula
C12H20O
SMILES
CC1(C2CC3CC(C2)C(C1C3)O)C
InChI
InChI=1S/C12H20O/c1-12(2)9-4-7-3-8(6-9)11(13)10(12)5-7/h7-11,13H,3-6H2,1-2H3
InChIKey
YXZBIMVVDGZENJ-UHFFFAOYSA-N
Compound name
4,4-dimethyladamantan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.15141 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.158686 145.2
[M+Na]+ 203.140628 149.1
[M-H]- 179.144134 140.1
[M+NH4]+ 198.185233 172.1
[M+K]+ 219.114568 145.6
[M+H-H2O]+ 163.148670 140.2
[M+HCOO]- 225.149611 151.2
[M+CH3COO]- 239.165261 154.6
[M+Na-2H]- 201.126076 154.7
[M]+ 180.15086142 144.9
[M]- 180.15195858 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.