CID 520383

Delta-selinene

Structural Information

Molecular Formula
C15H24
SMILES
CC1=C2C=C(CCC2(CCC1)C)C(C)C
InChI
InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h10-11H,5-9H2,1-4H3
InChIKey
VEGYMPQCXPVQJY-UHFFFAOYSA-N
Compound name
4,8a-dimethyl-6-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

171
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 149.3
[M+Na]+ 227.17702 155.1
[M-H]- 203.18052 153.1
[M+NH4]+ 222.22162 171.8
[M+K]+ 243.15096 152.2
[M+H-H2O]+ 187.18506 143.8
[M+HCOO]- 249.18600 166.4
[M+CH3COO]- 263.20165 190.6
[M+Na-2H]- 225.16247 152.9
[M]+ 204.18725 146.1
[M]- 204.18835 146.1
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