CID 368330

3,5,7-trimethyladamantan-1-ol

Structural Information

Molecular Formula
C13H22O
SMILES
CC12CC3(CC(C1)(CC(C2)(C3)O)C)C
InChI
InChI=1S/C13H22O/c1-10-4-11(2)6-12(3,5-10)9-13(14,7-10)8-11/h14H,4-9H2,1-3H3
InChIKey
DVKFVAJDHKVYLK-UHFFFAOYSA-N
Compound name
3,5,7-trimethyladamantan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

194.16707 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.17435 152.4
[M+Na]+ 217.15629 157.9
[M-H]- 193.15979 147.6
[M+NH4]+ 212.20089 183.7
[M+K]+ 233.13023 153.4
[M+H-H2O]+ 177.16433 145.6
[M+HCOO]- 239.16527 157.8
[M+CH3COO]- 253.18092 161.7
[M+Na-2H]- 215.14174 164.6
[M]+ 194.16652 153.0
[M]- 194.16762 153.0
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