CID 227638

103031-30-7

Structural Information

Molecular Formula

C₁₅H₂₀O₂

SMILES

CC1(CCC(C2=C1C=CC(=C2)C(=O)O)(C)C)C

InChI

InChI=1S/C15H20O2/c1-14(2)7-8-15(3,4)12-9-10(13(16)17)5-6-11(12)14/h5-6,9H,7-8H2,1-4H3,(H,16,17)

InChIKey

KSEZYZSBKCPEKP-UHFFFAOYSA-N

Compound name

5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 127
Patents: 232.14633 Da
Monoisotopic Mass: 4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	233.15361	151.6
[M+Na]+	255.13555	160.3
[M-H]-	231.13905	155.3
[M+NH4]+	250.18015	174.6
[M+K]+	271.10949	157.2
[M+H-H2O]+	215.14359	147.3
[M+HCOO]-	277.14453	169.3
[M+CH3COO]-	291.16018	191.8
[M+Na-2H]-	253.12100	156.6
[M]+	232.14578	151.2
[M]-	232.14688	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe