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]+ 127.111736 117.1
[M+Na]+ 149.093678 123.1
[M-H]- 125.097184 121.9
[M+NH4]+ 144.138283 133.7
[M+K]+ 165.067618 124.8
[M+H-H2O]+ 109.101720 113.1
[M+HCOO]- 171.102661 135.8
[M+CH3COO]- 185.118311 176.2
[M+Na-2H]- 147.079126 124.0
[M]+ 126.10391142 113.3
[M]- 126.10500858 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.