CID 71166722

Schembl14414059

Structural Information

Molecular Formula
C17H24O2
SMILES
CC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)O)C)(C)C
InChI
InChI=1S/C17H24O2/c1-10-7-14-13(8-12(10)15(18)19)16(3,4)9-11(2)17(14,5)6/h7-8,11H,9H2,1-6H3,(H,18,19)
InChIKey
QHYROQXZBXTVPO-UHFFFAOYSA-N
Compound name
3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

260.17764 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.184916 157.4
[M+Na]+ 283.166858 166.9
[M-H]- 259.170364 161.4
[M+NH4]+ 278.211463 179.8
[M+K]+ 299.140798 163.6
[M+H-H2O]+ 243.174900 153.3
[M+HCOO]- 305.175841 174.3
[M+CH3COO]- 319.191491 200.3
[M+Na-2H]- 281.152306 160.3
[M]+ 260.17709142 158.5
[M]- 260.17818858 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe