CID 549685

Dtxsid30880711

Structural Information

Molecular Formula
C15H24O
SMILES
CC(C)C1CCC2(C=CC(=O)CC2(C1)C)C
InChI
InChI=1S/C15H24O/c1-11(2)12-5-7-14(3)8-6-13(16)10-15(14,4)9-12/h6,8,11-12H,5,7,9-10H2,1-4H3
InChIKey
ZAASYBLGJDURHX-UHFFFAOYSA-N
Compound name
4a,8a-dimethyl-7-propan-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 151.9
[M+Na]+ 243.171928 158.0
[M-H]- 219.175434 155.8
[M+NH4]+ 238.216533 175.6
[M+K]+ 259.145868 155.5
[M+H-H2O]+ 203.179970 147.1
[M+HCOO]- 265.180911 167.9
[M+CH3COO]- 279.196561 191.9
[M+Na-2H]- 241.157376 155.8
[M]+ 220.18216142 148.5
[M]- 220.18325858 148.5
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

No patent data available for this compound.