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]+ 157.122316 132.3
[M+Na]+ 179.104258 136.9
[M-H]- 155.107764 133.6
[M+NH4]+ 174.148863 152.8
[M+K]+ 195.078198 136.2
[M+H-H2O]+ 139.112300 127.3
[M+HCOO]- 201.113241 147.3
[M+CH3COO]- 215.128891 174.3
[M+Na-2H]- 177.089706 139.6
[M]+ 156.11449142 127.8
[M]- 156.11558858 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.