CID 12447687

33213-81-9

Structural Information

Molecular Formula
C8H12O
SMILES
C1C=CC[C@H]2[C@@H]1C2CO
InChI
InChI=1S/C8H12O/c9-5-8-6-3-1-2-4-7(6)8/h1-2,6-9H,3-5H2/t6-,7+,8?
InChIKey
IGSBIWDDNAGQSE-DHBOJHSNSA-N
Compound name
[(1S,6R)-7-bicyclo[4.1.0]hept-3-enyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

124.08881 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 124.1
[M+Na]+ 147.07803 133.5
[M-H]- 123.08153 128.3
[M+NH4]+ 142.12263 142.2
[M+K]+ 163.05197 130.7
[M+H-H2O]+ 107.08607 119.0
[M+HCOO]- 169.08701 145.0
[M+CH3COO]- 183.10266 173.4
[M+Na-2H]- 145.06348 131.9
[M]+ 124.08826 124.7
[M]- 124.08936 124.7
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.