CID 64556

770-71-8

Structural Information

Molecular Formula
C11H18O
SMILES
C1C2CC3CC1CC(C2)(C3)CO
InChI
InChI=1S/C11H18O/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10,12H,1-7H2
InChIKey
MDVGOOIANLZFCP-UHFFFAOYSA-N
Compound name
1-adamantylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2403
Patents

166.13577 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 139.4
[M+Na]+ 189.12499 142.0
[M-H]- 165.12849 133.9
[M+NH4]+ 184.16959 166.3
[M+K]+ 205.09893 138.6
[M+H-H2O]+ 149.13303 134.1
[M+HCOO]- 211.13397 146.0
[M+CH3COO]- 225.14962 148.6
[M+Na-2H]- 187.11044 150.8
[M]+ 166.13522 138.1
[M]- 166.13632 138.1
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