CID 596248

1-(hydroxymethyl)adamantan-2-ol

Structural Information

Molecular Formula
C11H18O2
SMILES
C1C2CC3CC1CC(C2)(C3O)CO
InChI
InChI=1S/C11H18O2/c12-6-11-4-7-1-8(5-11)3-9(2-7)10(11)13/h7-10,12-13H,1-6H2
InChIKey
PUFOBDWCLXCAPH-UHFFFAOYSA-N
Compound name
1-(hydroxymethyl)adamantan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

182.13068 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 143.4
[M+Na]+ 205.119898 146.4
[M-H]- 181.123404 136.8
[M+NH4]+ 200.164503 169.2
[M+K]+ 221.093838 143.0
[M+H-H2O]+ 165.127940 138.7
[M+HCOO]- 227.128881 148.6
[M+CH3COO]- 241.144531 152.2
[M+Na-2H]- 203.105346 154.1
[M]+ 182.13013142 142.4
[M]- 182.13122858 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe