CID 15761867

(+)-8-drimen-7-one

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=C([C@]2(CCCC([C@@H]2CC1=O)(C)C)C)C
InChI
InChI=1S/C15H24O/c1-10-11(2)15(5)8-6-7-14(3,4)13(15)9-12(10)16/h13H,6-9H2,1-5H3/t13-,15+/m0/s1
InChIKey
VEEZSMVXABVRFI-DZGCQCFKSA-N
Compound name
(4aS,8aS)-3,4,4a,8,8-pentamethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

220.18271 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 148.9
[M+Na]+ 243.17193 157.1
[M-H]- 219.17543 153.5
[M+NH4]+ 238.21653 173.3
[M+K]+ 259.14587 154.3
[M+H-H2O]+ 203.17997 144.5
[M+HCOO]- 265.18091 165.9
[M+CH3COO]- 279.19656 193.4
[M+Na-2H]- 241.15738 152.9
[M]+ 220.18216 146.9
[M]- 220.18326 146.9
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