CID 20833769

2(1h)-naphthalenone, 4a,5,6,7,8,8a-hexahydro-3,4a,5,5,8a-pentamethyl-, cis-

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=C[C@@]2([C@@](CCCC2(C)C)(CC1=O)C)C
InChI
InChI=1S/C15H24O/c1-11-9-15(5)13(2,3)7-6-8-14(15,4)10-12(11)16/h9H,6-8,10H2,1-5H3/t14-,15-/m0/s1
InChIKey
RLXROWVGHRKLQF-GJZGRUSLSA-N
Compound name
(4aS,8aS)-3,4a,5,5,8a-pentamethyl-1,6,7,8-tetrahydronaphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

220.18271 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 148.2
[M+Na]+ 243.17193 156.5
[M-H]- 219.17543 152.9
[M+NH4]+ 238.21653 174.3
[M+K]+ 259.14587 153.9
[M+H-H2O]+ 203.17997 144.1
[M+HCOO]- 265.18091 165.3
[M+CH3COO]- 279.19656 192.1
[M+Na-2H]- 241.15738 154.0
[M]+ 220.18216 146.3
[M]- 220.18326 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe