CID 14083575

1,4,9-cadinatriene

Structural Information

Molecular Formula
C15H22
SMILES
CC1=CC2C(CC=C(C2=CC1)C)C(C)C
InChI
InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6-7,9-10,13,15H,5,8H2,1-4H3
InChIKey
KGEVYKNFJQYULL-UHFFFAOYSA-N
Compound name
4,7-dimethyl-1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.17215 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.179426 147.2
[M+Na]+ 225.161368 154.0
[M-H]- 201.164874 151.5
[M+NH4]+ 220.205973 168.1
[M+K]+ 241.135308 150.8
[M+H-H2O]+ 185.169410 141.5
[M+HCOO]- 247.170351 165.8
[M+CH3COO]- 261.186001 191.9
[M+Na-2H]- 223.146816 150.2
[M]+ 202.17160142 145.6
[M]- 202.17269858 145.6
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

No patent data available for this compound.