CID 556463

Bicyclo[6.1.0]non-1-ene

Structural Information

Molecular Formula

C₉H₁₄

SMILES

C1CCC=C2CC2CC1

InChI

InChI=1S/C9H14/c1-2-4-6-9-7-8(9)5-3-1/h5,9H,1-4,6-7H2

InChIKey

VBOOPDOMANCLLY-UHFFFAOYSA-N

Compound name

bicyclo[6.1.0]non-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 122.10955 Da
Monoisotopic Mass: 2.9
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]+	123.116826	128.2
[M+Na]+	145.098768	133.8
[M-H]-	121.102274	130.9
[M+NH4]+	140.143373	136.8
[M+K]+	161.072708	134.1
[M+H-H2O]+	105.106810	125.2
[M+HCOO]-	167.107751	138.3
[M+CH3COO]-	181.123401	134.6
[M+Na-2H]-	143.084216	131.5
[M]+	122.10900142	128.3
[M]-	122.11009858	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe