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 117.1
[M+Na]+ 149.09368 123.1
[M-H]- 125.09718 121.9
[M+NH4]+ 144.13828 133.7
[M+K]+ 165.06762 124.8
[M+H-H2O]+ 109.10172 113.1
[M+HCOO]- 171.10266 135.8
[M+CH3COO]- 185.11831 176.2
[M+Na-2H]- 147.07913 124.0
[M]+ 126.10391 113.3
[M]- 126.10501 113.3
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.