CID 27756

16219-75-3

Structural Information

Molecular Formula
C9H12
SMILES
CC=C1CC2CC1C=C2
InChI
InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3
InChIKey
OJOWICOBYCXEKR-UHFFFAOYSA-N
Compound name
5-ethylidenebicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

9
References

79872
Patents

120.0939 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.10118 126.8
[M+Na]+ 143.08312 135.2
[M-H]- 119.08662 130.0
[M+NH4]+ 138.12772 154.7
[M+K]+ 159.05706 132.7
[M+H-H2O]+ 103.09116 123.0
[M+HCOO]- 165.09210 149.8
[M+CH3COO]- 179.10775 171.0
[M+Na-2H]- 141.06857 131.5
[M]+ 120.09335 125.6
[M]- 120.09445 125.6
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.