CID 165936832

Rac-(1r,3r,7r)-bicyclo[5.1.0]octan-3-ol

Structural Information

Molecular Formula
C8H14O
SMILES
C1C[C@@H]2C[C@@H]2C[C@@H](C1)O
InChI
InChI=1S/C8H14O/c9-8-3-1-2-6-4-7(6)5-8/h6-9H,1-5H2/t6-,7-,8-/m1/s1
InChIKey
VWFDITGJWOEKNH-BWZBUEFSSA-N
Compound name
(1R,3R,7R)-bicyclo[5.1.0]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 121.5
[M+Na]+ 149.09368 131.8
[M+NH4]+ 144.13828 130.8
[M+K]+ 165.06762 129.1
[M-H]- 125.09718 129.3
[M+Na-2H]- 147.07913 128.7
[M]+ 126.10391 126.1
[M]- 126.10501 126.1
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.