CID 265793

3,5-dimethyl-1-adamantanol

Structural Information

Molecular Formula
C12H20O
SMILES
CC12CC3CC(C1)(CC(C3)(C2)O)C
InChI
InChI=1S/C12H20O/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9,13H,3-8H2,1-2H3
InChIKey
LBWCITVBZLTEKW-UHFFFAOYSA-N
Compound name
3,5-dimethyladamantan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

394
Patents

180.15141 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.158686 147.4
[M+Na]+ 203.140628 152.1
[M-H]- 179.144134 142.4
[M+NH4]+ 198.185233 177.5
[M+K]+ 219.114568 147.9
[M+H-H2O]+ 163.148670 141.1
[M+HCOO]- 225.149611 153.3
[M+CH3COO]- 239.165261 156.8
[M+Na-2H]- 201.126076 159.5
[M]+ 180.15086142 147.2
[M]- 180.15195858 147.2
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

patents stripe