CID 276354

Decahydro-cyclobutadicyclopentene-1,4-diol

Structural Information

Molecular Formula
C10H16O2
SMILES
C1CC(C2C1C3C2CCC3O)O
InChI
InChI=1S/C10H16O2/c11-7-3-1-5-9(7)6-2-4-8(12)10(5)6/h5-12H,1-4H2
InChIKey
CFYUQSXXJZGPEE-UHFFFAOYSA-N
Compound name
tricyclo[5.3.0.02,6]decane-3,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 133.0
[M+Na]+ 191.10426 138.9
[M-H]- 167.10776 135.9
[M+NH4]+ 186.14886 151.6
[M+K]+ 207.07820 138.6
[M+H-H2O]+ 151.11230 125.6
[M+HCOO]- 213.11324 149.6
[M+CH3COO]- 227.12889 179.1
[M+Na-2H]- 189.08971 134.6
[M]+ 168.11449 138.1
[M]- 168.11559 138.1
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.