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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	125.09609	124.4
[M+Na]+	147.07803	137.6
[M+NH4]+	142.12263	134.8
[M+K]+	163.05197	132.6
[M-H]-	123.08153	133.3
[M+Na-2H]-	145.06348	132.4
[M]+	124.08826	129.9
[M]-	124.08936	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.