CID 594544

2-cyclopentyl-1,4-dimethylbenzene

Structural Information

Molecular Formula
C13H18
SMILES
CC1=CC(=C(C=C1)C)C2CCCC2
InChI
InChI=1S/C13H18/c1-10-7-8-11(2)13(9-10)12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3
InChIKey
YSVADLJGCIUWQF-UHFFFAOYSA-N
Compound name
2-cyclopentyl-1,4-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

174.14085 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.148126 139.4
[M+Na]+ 197.130068 146.3
[M-H]- 173.133574 146.0
[M+NH4]+ 192.174673 161.7
[M+K]+ 213.104008 143.3
[M+H-H2O]+ 157.138110 133.5
[M+HCOO]- 219.139051 162.1
[M+CH3COO]- 233.154701 182.0
[M+Na-2H]- 195.115516 142.2
[M]+ 174.14030142 136.8
[M]- 174.14139858 136.8
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