CID 92883

22516-13-8

Structural Information

Molecular Formula
C7H10
SMILES
CCC1C=CC=C1
InChI
InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h3-7H,2H2,1H3
InChIKey
CLRIMWMVEVYXAK-UHFFFAOYSA-N
Compound name
5-ethylcyclopenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1529
Patents

94.07825 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.085526 116.9
[M+Na]+ 117.067468 125.2
[M-H]- 93.070974 120.8
[M+NH4]+ 112.112073 142.3
[M+K]+ 133.041408 124.2
[M+H-H2O]+ 77.075510 112.3
[M+HCOO]- 139.076451 142.9
[M+CH3COO]- 153.092101 165.7
[M+Na-2H]- 115.052916 124.1
[M]+ 94.07770142 116.8
[M]- 94.07879858 116.8
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