CID 21885113

[3-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol

Structural Information

Molecular Formula
C12H20O2
SMILES
C1CC2CC1C3C2C(C(C3)CO)CO
InChI
InChI=1S/C12H20O2/c13-5-9-4-10-7-1-2-8(3-7)12(10)11(9)6-14/h7-14H,1-6H2
InChIKey
CGGMCNLKDXNMLH-UHFFFAOYSA-N
Compound name
[3-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

677
Patents

196.14633 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 149.4
[M+Na]+ 219.13555 155.9
[M-H]- 195.13905 150.5
[M+NH4]+ 214.18015 175.5
[M+K]+ 235.10949 152.2
[M+H-H2O]+ 179.14359 146.7
[M+HCOO]- 241.14453 166.0
[M+CH3COO]- 255.16018 181.7
[M+Na-2H]- 217.12100 148.7
[M]+ 196.14578 146.7
[M]- 196.14688 146.7
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.