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]+ 165.16378 134.9
[M+Na]+ 187.14572 144.8
[M-H]- 163.14922 139.5
[M+NH4]+ 182.19032 160.6
[M+K]+ 203.11966 142.7
[M+H-H2O]+ 147.15376 131.3
[M+HCOO]- 209.15470 159.3
[M+CH3COO]- 223.17035 183.7
[M+Na-2H]- 185.13117 138.8
[M]+ 164.15595 138.1
[M]- 164.15705 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