CID 21099984

Dtxsid70849625

Structural Information

Molecular Formula
C12H20
SMILES
CCCC1=CC(C(=C1C)C)(C)C
InChI
InChI=1S/C12H20/c1-6-7-11-8-12(4,5)10(3)9(11)2/h8H,6-7H2,1-5H3
InChIKey
LJVKYAWJPYIKEY-UHFFFAOYSA-N
Compound name
1,2,5,5-tetramethyl-3-propylcyclopenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

164.1565 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.163776 134.9
[M+Na]+ 187.145718 144.8
[M-H]- 163.149224 139.5
[M+NH4]+ 182.190323 160.6
[M+K]+ 203.119658 142.7
[M+H-H2O]+ 147.153760 131.3
[M+HCOO]- 209.154701 159.3
[M+CH3COO]- 223.170351 183.7
[M+Na-2H]- 185.131166 138.8
[M]+ 164.15595142 138.1
[M]- 164.15704858 138.1
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