CID 604755

2-cyclopentyl-1,3,5-trimethylbenzene

Structural Information

Molecular Formula
C14H20
SMILES
CC1=CC(=C(C(=C1)C)C2CCCC2)C
InChI
InChI=1S/C14H20/c1-10-8-11(2)14(12(3)9-10)13-6-4-5-7-13/h8-9,13H,4-7H2,1-3H3
InChIKey
VDTIPDYCFGOGAE-UHFFFAOYSA-N
Compound name
2-cyclopentyl-1,3,5-trimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

188.1565 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.163776 143.3
[M+Na]+ 211.145718 150.7
[M-H]- 187.149224 150.2
[M+NH4]+ 206.190323 165.4
[M+K]+ 227.119658 147.5
[M+H-H2O]+ 171.153760 137.5
[M+HCOO]- 233.154701 165.7
[M+CH3COO]- 247.170351 186.1
[M+Na-2H]- 209.131166 144.9
[M]+ 188.15595142 141.5
[M]- 188.15704858 141.5
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