CID 165749769

3-(oxan-4-yl)bicyclo[1.1.1]pentan-1-ol

Structural Information

Molecular Formula
C10H16O2
SMILES
C1COCCC1C23CC(C2)(C3)O
InChI
InChI=1S/C10H16O2/c11-10-5-9(6-10,7-10)8-1-3-12-4-2-8/h8,11H,1-7H2
InChIKey
NHMXBLCDGFQXGY-UHFFFAOYSA-N
Compound name
3-(oxan-4-yl)bicyclo[1.1.1]pentan-1-ol
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 140.5
[M+Na]+ 191.10426 143.2
[M-H]- 167.10776 145.2
[M+NH4]+ 186.14886 145.6
[M+K]+ 207.07820 149.6
[M+H-H2O]+ 151.11230 127.6
[M+HCOO]- 213.11324 150.5
[M+CH3COO]- 227.12889 204.7
[M+Na-2H]- 189.08971 148.3
[M]+ 168.11449 162.3
[M]- 168.11559 162.3
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.