CID 3022927

Octahydro-5,5-dimethylnaphthalene-1-methyl acetate

Structural Information

Molecular Formula
C15H24O2
SMILES
CC(=O)OCC1CCCC2=C1CCCC2(C)C
InChI
InChI=1S/C15H24O2/c1-11(16)17-10-12-6-4-8-14-13(12)7-5-9-15(14,2)3/h12H,4-10H2,1-3H3
InChIKey
SPHWOTDTYVMNCC-UHFFFAOYSA-N
Compound name
(5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 156.7
[M+Na]+ 259.166848 161.7
[M-H]- 235.170354 160.1
[M+NH4]+ 254.211453 177.6
[M+K]+ 275.140788 159.5
[M+H-H2O]+ 219.174890 151.0
[M+HCOO]- 281.175831 172.9
[M+CH3COO]- 295.191481 193.5
[M+Na-2H]- 257.152296 159.4
[M]+ 236.17708142 154.2
[M]- 236.17817858 154.2
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.