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]+ 275.273326 171.2
[M+Na]+ 297.255268 173.2
[M-H]- 273.258774 176.1
[M+NH4]+ 292.299873 187.4
[M+K]+ 313.229208 169.8
[M+H-H2O]+ 257.263310 164.2
[M+HCOO]- 319.264251 185.2
[M+CH3COO]- 333.279901 205.1
[M+Na-2H]- 295.240716 170.2
[M]+ 274.26550142 166.4
[M]- 274.26659858 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