CID 585272

Ethyltetramethylcyclopentadiene

Structural Information

Molecular Formula
C11H18
SMILES
CCC1C(=C(C(=C1C)C)C)C
InChI
InChI=1S/C11H18/c1-6-11-9(4)7(2)8(3)10(11)5/h11H,6H2,1-5H3
InChIKey
MXYDFFLUOPTQFI-UHFFFAOYSA-N
Compound name
5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

150.14085 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.14813 131.6
[M+Na]+ 173.13007 141.9
[M-H]- 149.13357 136.3
[M+NH4]+ 168.17467 156.1
[M+K]+ 189.10401 139.9
[M+H-H2O]+ 133.13811 127.5
[M+HCOO]- 195.13905 156.2
[M+CH3COO]- 209.15470 182.3
[M+Na-2H]- 171.11552 134.1
[M]+ 150.14030 134.5
[M]- 150.14140 134.5
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