CID 87448182

Dtxsid90911893

Structural Information

Molecular Formula
C13H16
SMILES
C1C=CC(=C1)CCCC2=CCC=C2
InChI
InChI=1S/C13H16/c1-2-7-12(6-1)10-5-11-13-8-3-4-9-13/h1,3,6-9H,2,4-5,10-11H2
InChIKey
XWSZDNGQVORBSN-UHFFFAOYSA-N
Compound name
2-(3-cyclopenta-1,4-dien-1-ylpropyl)cyclopenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.1252 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.13248 140.2
[M+Na]+ 195.11442 147.2
[M-H]- 171.11792 146.8
[M+NH4]+ 190.15902 163.8
[M+K]+ 211.08836 144.2
[M+H-H2O]+ 155.12246 134.1
[M+HCOO]- 217.12340 166.5
[M+CH3COO]- 231.13905 179.8
[M+Na-2H]- 193.09987 143.8
[M]+ 172.12465 140.6
[M]- 172.12575 140.6
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.