CID 110810

6240-11-5

Structural Information

Molecular Formula
C12H20O
SMILES
C1C2CC3CC1CC(C2)(C3)CCO
InChI
InChI=1S/C12H20O/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,13H,1-8H2
InChIKey
ZBIDZPHRNBZTLT-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

924
Patents

180.15141 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.15869 144.0
[M+Na]+ 203.14063 146.1
[M-H]- 179.14413 138.3
[M+NH4]+ 198.18523 170.3
[M+K]+ 219.11457 142.6
[M+H-H2O]+ 163.14867 138.5
[M+HCOO]- 225.14961 150.2
[M+CH3COO]- 239.16526 152.8
[M+Na-2H]- 201.12608 154.8
[M]+ 180.15086 143.0
[M]- 180.15196 143.0
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