CID 300814

2-(1-adamantyl)propan-2-ol

Structural Information

Molecular Formula
C13H22O
SMILES
CC(C)(C12CC3CC(C1)CC(C3)C2)O
InChI
InChI=1S/C13H22O/c1-12(2,14)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11,14H,3-8H2,1-2H3
InChIKey
WBKAUEBLTWRERU-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

194.16707 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.174346 152.6
[M+Na]+ 217.156288 154.6
[M-H]- 193.159794 146.7
[M+NH4]+ 212.200893 178.4
[M+K]+ 233.130228 151.3
[M+H-H2O]+ 177.164330 147.7
[M+HCOO]- 239.165271 156.7
[M+CH3COO]- 253.180921 160.8
[M+Na-2H]- 215.141736 163.5
[M]+ 194.16652142 151.5
[M]- 194.16761858 151.5
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