CID 590981

9-t-butyltricyclo[4.2.1.1(2,5)]decane-9,10-diol

Structural Information

Molecular Formula
C14H24O2
SMILES
CC(C)(C)C1(C2CCC1C3CCC2C3O)O
InChI
InChI=1S/C14H24O2/c1-13(2,3)14(16)10-6-7-11(14)9-5-4-8(10)12(9)15/h8-12,15-16H,4-7H2,1-3H3
InChIKey
QZGFSINJXRAHHQ-UHFFFAOYSA-N
Compound name
9-tert-butyltricyclo[4.2.1.12,5]decane-9,10-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.17763 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.184906 158.1
[M+Na]+ 247.166848 164.9
[M-H]- 223.170354 157.6
[M+NH4]+ 242.211453 184.4
[M+K]+ 263.140788 160.7
[M+H-H2O]+ 207.174890 156.3
[M+HCOO]- 269.175831 169.9
[M+CH3COO]- 283.191481 187.8
[M+Na-2H]- 245.152296 161.0
[M]+ 224.17708142 155.6
[M]- 224.17817858 155.6
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.