CID 11075434

92860-49-6

Structural Information

Molecular Formula
C15H24O2
SMILES
CC1(CCCC2=C1CC(CC2)(C)C(=O)OC)C
InChI
InChI=1S/C15H24O2/c1-14(2)8-5-6-11-7-9-15(3,10-12(11)14)13(16)17-4/h5-10H2,1-4H3
InChIKey
JLQDNUAEHHGXMP-UHFFFAOYSA-N
Compound name
methyl 2,8,8-trimethyl-1,3,4,5,6,7-hexahydronaphthalene-2-carboxylate
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 155.6
[M+Na]+ 259.166848 161.6
[M-H]- 235.170354 159.4
[M+NH4]+ 254.211453 178.6
[M+K]+ 275.140788 159.8
[M+H-H2O]+ 219.174890 150.6
[M+HCOO]- 281.175831 171.8
[M+CH3COO]- 295.191481 193.2
[M+Na-2H]- 257.152296 159.5
[M]+ 236.17708142 153.6
[M]- 236.17817858 153.6
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.