CID 6432404

Gamma-cadinene

Structural Information

Molecular Formula
C15H24
SMILES
CC1=C[C@@H]2[C@@H](CC1)C(=C)CC[C@H]2C(C)C
InChI
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m0/s1
InChIKey
WRHGORWNJGOVQY-KKUMJFAQSA-N
Compound name
(1S,4aR,8aR)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

41
References

1058
Patents

204.1878 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 149.2
[M+Na]+ 227.17702 154.2
[M-H]- 203.18052 152.7
[M+NH4]+ 222.22162 169.7
[M+K]+ 243.15096 150.8
[M+H-H2O]+ 187.18506 143.6
[M+HCOO]- 249.18600 164.9
[M+CH3COO]- 263.20165 191.8
[M+Na-2H]- 225.16247 150.1
[M]+ 204.18725 143.9
[M]- 204.18835 143.9
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

No patent data available for this compound.