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]+ 183.13796 143.4
[M+Na]+ 205.11990 146.4
[M-H]- 181.12340 136.8
[M+NH4]+ 200.16450 169.2
[M+K]+ 221.09384 143.0
[M+H-H2O]+ 165.12794 138.7
[M+HCOO]- 227.12888 148.6
[M+CH3COO]- 241.14453 152.2
[M+Na-2H]- 203.10535 154.1
[M]+ 182.13013 142.4
[M]- 182.13123 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