CID 165950011

2694063-11-9

Structural Information

Molecular Formula
C9H16O2
SMILES
C1C[C@@H]2C[C@H](C1)[C@@H](OC2)CO
InChI
InChI=1S/C9H16O2/c10-5-9-8-3-1-2-7(4-8)6-11-9/h7-10H,1-6H2/t7-,8+,9+/m1/s1
InChIKey
DIHIWCJSNJNSKG-VGMNWLOBSA-N
Compound name
[(1S,2R,5R)-3-oxabicyclo[3.3.1]nonan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.11504 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 132.3
[M+Na]+ 179.10426 136.9
[M-H]- 155.10776 133.6
[M+NH4]+ 174.14886 152.8
[M+K]+ 195.07820 136.2
[M+H-H2O]+ 139.11230 127.3
[M+HCOO]- 201.11324 147.3
[M+CH3COO]- 215.12889 174.3
[M+Na-2H]- 177.08971 139.6
[M]+ 156.11449 127.8
[M]- 156.11559 127.8
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.