CID 12744927

1-(2-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene

Structural Information

Molecular Formula
C12H14
SMILES
C1C=CC=C1CCC2=CC=CC2
InChI
InChI=1S/C12H14/c1-2-6-11(5-1)9-10-12-7-3-4-8-12/h1-5,7H,6,8-10H2
InChIKey
OYDGRFZMWQLWGV-UHFFFAOYSA-N
Compound name
1-(2-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

604
Patents

158.10954 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.116816 135.5
[M+Na]+ 181.098758 142.9
[M-H]- 157.102264 142.2
[M+NH4]+ 176.143363 159.7
[M+K]+ 197.072698 140.2
[M+H-H2O]+ 141.106800 129.6
[M+HCOO]- 203.107741 162.1
[M+CH3COO]- 217.123391 176.8
[M+Na-2H]- 179.084206 139.6
[M]+ 158.10899142 135.5
[M]- 158.11008858 135.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe