CID 86895

Cuparene

Structural Information

Molecular Formula
C15H22
SMILES
CC1=CC=C(C=C1)[C@@]2(CCCC2(C)C)C
InChI
InChI=1S/C15H22/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6-9H,5,10-11H2,1-4H3/t15-/m0/s1
InChIKey
SLKPBCXNFNIJSV-HNNXBMFYSA-N
Compound name
1-methyl-4-[(1R)-1,2,2-trimethylcyclopentyl]benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

279
Patents

202.17215 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.179426 145.8
[M+Na]+ 225.161368 153.9
[M-H]- 201.164874 153.0
[M+NH4]+ 220.205973 171.2
[M+K]+ 241.135308 150.7
[M+H-H2O]+ 185.169410 140.9
[M+HCOO]- 247.170351 168.0
[M+CH3COO]- 261.186001 187.3
[M+Na-2H]- 223.146816 149.9
[M]+ 202.17160142 144.6
[M]- 202.17269858 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe