CID 73555668

[5-(hydroxymethyl)-2-tricyclo[2.2.2.21,4]decanyl]methanol

Structural Information

Molecular Formula
C12H20O2
SMILES
C1CC23CCC1(CC2CO)C(C3)CO
InChI
InChI=1S/C12H20O2/c13-7-9-6-12-2-1-11(9,3-4-12)5-10(12)8-14/h9-10,13-14H,1-8H2
InChIKey
YGOKKVJEXURPMZ-UHFFFAOYSA-N
Compound name
[5-(hydroxymethyl)-2-tricyclo[2.2.2.21,4]decanyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.14633 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 136.4
[M+Na]+ 219.135548 138.7
[M-H]- 195.139054 131.8
[M+NH4]+ 214.180153 163.6
[M+K]+ 235.109488 134.4
[M+H-H2O]+ 179.143590 129.1
[M+HCOO]- 241.144531 140.1
[M+CH3COO]- 255.160181 145.3
[M+Na-2H]- 217.120996 149.2
[M]+ 196.14578142 135.0
[M]- 196.14687858 135.0
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

No patent data available for this compound.