CID 177102

(2,2-dimethylcyclopentyl)benzene

Structural Information

Molecular Formula
C13H18
SMILES
CC1(CCCC1C2=CC=CC=C2)C
InChI
InChI=1S/C13H18/c1-13(2)10-6-9-12(13)11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3
InChIKey
ULFKDLLDIXVBFH-UHFFFAOYSA-N
Compound name
(2,2-dimethylcyclopentyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 139.6
[M+Na]+ 197.130068 146.6
[M-H]- 173.133574 146.3
[M+NH4]+ 192.174673 163.7
[M+K]+ 213.104008 143.7
[M+H-H2O]+ 157.138110 134.0
[M+HCOO]- 219.139051 162.4
[M+CH3COO]- 233.154701 180.5
[M+Na-2H]- 195.115516 144.1
[M]+ 174.14030142 136.9
[M]- 174.14139858 136.9
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