CID 521334

Gamma-selinene

Structural Information

Molecular Formula
C15H24
SMILES
CC(=C1CCC2(CCCC(=C)C2C1)C)C
InChI
InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h14H,3,5-10H2,1-2,4H3
InChIKey
RMZHSBMIZBMVMN-UHFFFAOYSA-N
Compound name
8a-methyl-4-methylidene-6-propan-2-ylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

424
Patents

204.1878 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 150.0
[M+Na]+ 227.17702 154.3
[M-H]- 203.18052 153.1
[M+NH4]+ 222.22162 172.2
[M+K]+ 243.15096 150.7
[M+H-H2O]+ 187.18506 144.8
[M+HCOO]- 249.18600 164.5
[M+CH3COO]- 263.20165 189.0
[M+Na-2H]- 225.16247 151.6
[M]+ 204.18725 142.3
[M]- 204.18835 142.3
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