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

4
Patents

188.1565 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.16378 143.3
[M+Na]+ 211.14572 148.8
[M-H]- 187.14922 149.4
[M+NH4]+ 206.19032 163.1
[M+K]+ 227.11966 145.6
[M+H-H2O]+ 171.15376 136.7
[M+HCOO]- 233.15470 163.5
[M+CH3COO]- 247.17035 185.4
[M+Na-2H]- 209.13117 147.1
[M]+ 188.15595 138.9
[M]- 188.15705 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