CID 12754708

79269-74-2

Structural Information

Molecular Formula
C12H14
SMILES
CC(C1=CC=CC1)C2=CCC=C2
InChI
InChI=1S/C12H14/c1-10(11-6-2-3-7-11)12-8-4-5-9-12/h2-4,6,8-10H,5,7H2,1H3
InChIKey
XJKKFMTVVODMQJ-UHFFFAOYSA-N
Compound name
1-(1-cyclopenta-1,4-dien-1-ylethyl)cyclopenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.10954 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.11682 136.4
[M+Na]+ 181.09876 143.4
[M-H]- 157.10226 143.3
[M+NH4]+ 176.14336 160.5
[M+K]+ 197.07270 141.2
[M+H-H2O]+ 141.10680 130.6
[M+HCOO]- 203.10774 162.0
[M+CH3COO]- 217.12339 177.5
[M+Na-2H]- 179.08421 139.3
[M]+ 158.10899 135.7
[M]- 158.11009 135.7
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.