CID 16206060

94201-68-0

Structural Information

Molecular Formula
C18H30O2
SMILES
CC(C)COC(=O)C1(CCC2=C(C1)C(CCC2)(C)C)C
InChI
InChI=1S/C18H30O2/c1-13(2)12-20-16(19)18(5)10-8-14-7-6-9-17(3,4)15(14)11-18/h13H,6-12H2,1-5H3
InChIKey
QWLXSPZLVCBDHM-UHFFFAOYSA-N
Compound name
2-methylpropyl 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

278.22458 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.231856 168.9
[M+Na]+ 301.213798 173.3
[M-H]- 277.217304 172.1
[M+NH4]+ 296.258403 190.0
[M+K]+ 317.187738 171.3
[M+H-H2O]+ 261.221840 163.6
[M+HCOO]- 323.222781 183.0
[M+CH3COO]- 337.238431 203.1
[M+Na-2H]- 299.199246 170.0
[M]+ 278.22403142 167.2
[M]- 278.22512858 167.2
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.