CID 12249383

339547-67-0

Structural Information

Molecular Formula
C14H20
SMILES
CC1CCCC(C1)C2=CC=CC=C2C
InChI
InChI=1S/C14H20/c1-11-6-5-8-13(10-11)14-9-4-3-7-12(14)2/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3
InChIKey
ASPYYUBQUOSLFL-UHFFFAOYSA-N
Compound name
1-methyl-2-(3-methylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

188.1565 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.163776 143.3
[M+Na]+ 211.145718 148.8
[M-H]- 187.149224 149.4
[M+NH4]+ 206.190323 163.1
[M+K]+ 227.119658 145.6
[M+H-H2O]+ 171.153760 136.7
[M+HCOO]- 233.154701 163.5
[M+CH3COO]- 247.170351 185.4
[M+Na-2H]- 209.131166 147.1
[M]+ 188.15595142 138.9
[M]- 188.15704858 138.9
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