CID 10375655

Omega-cadinene

Structural Information

Molecular Formula
C15H24
SMILES
CC1=C2CC=C(CC2C(CC1)C(C)C)C
InChI
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,10,13,15H,6-9H2,1-4H3
InChIKey
SUSBMOMALMMAGH-UHFFFAOYSA-N
Compound name
4,7-dimethyl-1-propan-2-yl-1,2,3,5,8,8a-hexahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

204.1878 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 149.0
[M+Na]+ 227.17702 154.7
[M-H]- 203.18052 152.8
[M+NH4]+ 222.22162 169.7
[M+K]+ 243.15096 151.7
[M+H-H2O]+ 187.18506 143.3
[M+HCOO]- 249.18600 166.0
[M+CH3COO]- 263.20165 192.2
[M+Na-2H]- 225.16247 150.9
[M]+ 204.18725 145.9
[M]- 204.18835 145.9
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