CID 146049171

Rac-(1r,2r,3s,5r,6s)-9-oxatricyclo[4.2.1.0,2,5]non-7-en-3-ol

Structural Information

Molecular Formula
C8H10O2
SMILES
C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]2[C@@H]1O)O3
InChI
InChI=1S/C8H10O2/c9-5-3-4-6-1-2-7(10-6)8(4)5/h1-2,4-9H,3H2/t4-,5-,6-,7+,8+/m1/s1
InChIKey
WMSJCPJKJROARM-YQXRAVKXSA-N
Compound name
(1S,2S,3R,5S,6R)-9-oxatricyclo[4.2.1.02,5]non-7-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.06808 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.07536 119.4
[M+Na]+ 161.05730 127.2
[M-H]- 137.06080 123.5
[M+NH4]+ 156.10190 139.3
[M+K]+ 177.03124 129.1
[M+H-H2O]+ 121.06534 112.8
[M+HCOO]- 183.06628 138.7
[M+CH3COO]- 197.08193 175.5
[M+Na-2H]- 159.04275 126.1
[M]+ 138.06753 129.2
[M]- 138.06863 129.2
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.