CID 139598201

Ns00002431

Structural Information

Molecular Formula
C18H24O3
SMILES
CC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C(=O)O)(C)C
InChI
InChI=1S/C18H24O3/c1-10-9-17(3,4)14-7-12(11(2)19)13(16(20)21)8-15(14)18(10,5)6/h7-8,10H,9H2,1-6H3,(H,20,21)
InChIKey
ZJYRQFMLSHFHRD-UHFFFAOYSA-N
Compound name
3-acetyl-5,5,7,8,8-pentamethyl-6,7-dihydronaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.17255 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.179826 162.9
[M+Na]+ 311.161768 171.9
[M-H]- 287.165274 166.7
[M+NH4]+ 306.206373 183.9
[M+K]+ 327.135708 169.1
[M+H-H2O]+ 271.169810 159.0
[M+HCOO]- 333.170751 178.9
[M+CH3COO]- 347.186401 205.5
[M+Na-2H]- 309.147216 164.5
[M]+ 288.17200142 164.7
[M]- 288.17309858 164.7
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.