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]+ 169.122316 140.5
[M+Na]+ 191.104258 143.2
[M-H]- 167.107764 145.2
[M+NH4]+ 186.148863 145.6
[M+K]+ 207.078198 149.6
[M+H-H2O]+ 151.112300 127.6
[M+HCOO]- 213.113241 150.5
[M+CH3COO]- 227.128891 204.7
[M+Na-2H]- 189.089706 148.3
[M]+ 168.11449142 162.3
[M]- 168.11558858 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.