CID 10123

A-selinene

Structural Information

Molecular Formula
C15H24
SMILES
CC1=CCCC2(C1CC(CC2)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/h6,13-14H,1,5,7-10H2,2-4H3
InChIKey
OZQAPQSEYFAMCY-UHFFFAOYSA-N
Compound name
5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

33
References

2022
Patents

204.1878 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 149.5
[M+Na]+ 227.17702 154.5
[M-H]- 203.18052 153.0
[M+NH4]+ 222.22162 171.8
[M+K]+ 243.15096 151.3
[M+H-H2O]+ 187.18506 144.2
[M+HCOO]- 249.18600 165.3
[M+CH3COO]- 263.20165 190.1
[M+Na-2H]- 225.16247 152.1
[M]+ 204.18725 144.1
[M]- 204.18835 144.1
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