CID 163420288

Di-l-para-menthene

Structural Information

Molecular Formula
C20H34
SMILES
CC1=CCC(CC1)C(C)CC(C)(C)C2CCC(=CC2)C
InChI
InChI=1S/C20H34/c1-15-6-10-18(11-7-15)17(3)14-20(4,5)19-12-8-16(2)9-13-19/h6,8,17-19H,7,9-14H2,1-5H3
InChIKey
AHWSBYUPIDJISG-UHFFFAOYSA-N
Compound name
1-methyl-4-[2-methyl-4-(4-methylcyclohex-3-en-1-yl)pentan-2-yl]cyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

274.26605 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.27333 171.2
[M+Na]+ 297.25527 173.2
[M-H]- 273.25877 176.1
[M+NH4]+ 292.29987 187.4
[M+K]+ 313.22921 169.8
[M+H-H2O]+ 257.26331 164.2
[M+HCOO]- 319.26425 185.2
[M+CH3COO]- 333.27990 205.1
[M+Na-2H]- 295.24072 170.2
[M]+ 274.26550 166.4
[M]- 274.26660 166.4
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