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
1
Annotation Hits

0
References

375
Patents

202.17215 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.17943 148.5
[M+Na]+ 225.16137 152.5
[M-H]- 201.16487 153.9
[M+NH4]+ 220.20597 167.3
[M+K]+ 241.13531 149.1
[M+H-H2O]+ 185.16941 141.3
[M+HCOO]- 247.17035 168.2
[M+CH3COO]- 261.18600 187.3
[M+Na-2H]- 223.14682 152.3
[M]+ 202.17160 143.9
[M]- 202.17270 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