CID 548985

2146-39-6

Structural Information

Molecular Formula

C₉H₁₄

SMILES

C=CC1CC2CCC1C2

InChI

InChI=1S/C9H14/c1-2-8-5-7-3-4-9(8)6-7/h2,7-9H,1,3-6H2

InChIKey

PFUYSXSIHCSVJJ-UHFFFAOYSA-N

Compound name

2-ethenylbicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 894
Patents: 122.10955 Da
Monoisotopic Mass: 3.4
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]+	123.11683	127.3
[M+Na]+	145.09877	136.7
[M+NH4]+	140.14337	137.8
[M+K]+	161.07271	133.2
[M-H]-	121.10227	128.4
[M+Na-2H]-	143.08422	129.6
[M]+	122.10900	128.7
[M]-	122.11010	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe