CID 11075368

125735-41-3

Structural Information

Molecular Formula
C17H30
SMILES
CC(C)(C)C1C=C(C=C1C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C17H30/c1-15(2,3)12-10-13(16(4,5)6)14(11-12)17(7,8)9/h10-11,13H,1-9H3
InChIKey
WQFBXIQLFBQNLL-UHFFFAOYSA-N
Compound name
1,3,5-tritert-butylcyclopenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

234.23476 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.24204 158.6
[M+Na]+ 257.22398 166.1
[M-H]- 233.22748 162.7
[M+NH4]+ 252.26858 179.7
[M+K]+ 273.19792 164.0
[M+H-H2O]+ 217.23202 155.0
[M+HCOO]- 279.23296 176.6
[M+CH3COO]- 293.24861 197.5
[M+Na-2H]- 255.20943 162.0
[M]+ 234.23421 161.3
[M]- 234.23531 161.3
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