CID 12354321

(4-propylcyclohexyl)benzene

Structural Information

Molecular Formula
C15H22
SMILES
CCCC1CCC(CC1)C2=CC=CC=C2
InChI
InChI=1S/C15H22/c1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12H2,1H3
InChIKey
PWGUTKLGUISGAE-UHFFFAOYSA-N
Compound name
(4-propylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

408
Patents

202.17215 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.179426 148.5
[M+Na]+ 225.161368 152.5
[M-H]- 201.164874 153.9
[M+NH4]+ 220.205973 167.3
[M+K]+ 241.135308 149.1
[M+H-H2O]+ 185.169410 141.3
[M+HCOO]- 247.170351 168.2
[M+CH3COO]- 261.186001 187.3
[M+Na-2H]- 223.146816 152.3
[M]+ 202.17160142 143.9
[M]- 202.17269858 143.9
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