CID 561873

5-methylidenecycloocta-1,3-diene

Structural Information

Molecular Formula
C9H12
SMILES
C=C1CCCC=CC=C1
InChI
InChI=1S/C9H12/c1-9-7-5-3-2-4-6-8-9/h2-3,5,7H,1,4,6,8H2
InChIKey
MZFUKBSFQUPEFP-UHFFFAOYSA-N
Compound name
5-methylidenecycloocta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

120.0939 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.101176 136.7
[M+Na]+ 143.083118 141.5
[M-H]- 119.086624 138.6
[M+NH4]+ 138.127723 146.8
[M+K]+ 159.057058 141.8
[M+H-H2O]+ 103.091160 133.6
[M+HCOO]- 165.092101 147.1
[M+CH3COO]- 179.107751 216.8
[M+Na-2H]- 141.068566 138.6
[M]+ 120.09335142 135.3
[M]- 120.09444858 135.3
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

patents stripe