CID 139597834

Ns00002807

Structural Information

Molecular Formula

C₁₆H₂₂O₂

SMILES

CC1CC(C2=C(C1(C)C)C=C(C=C2)C(=O)O)(C)C

InChI

InChI=1S/C16H22O2/c1-10-9-15(2,3)12-7-6-11(14(17)18)8-13(12)16(10,4)5/h6-8,10H,9H2,1-5H3,(H,17,18)

InChIKey

XJQBLPVJDDBGQP-UHFFFAOYSA-N

Compound name

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: 246.16199 Da
Monoisotopic Mass: 4.8
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]+	247.169266	154.5
[M+Na]+	269.151208	163.6
[M-H]-	245.154714	158.4
[M+NH4]+	264.195813	177.2
[M+K]+	285.125148	160.5
[M+H-H2O]+	229.159250	150.3
[M+HCOO]-	291.160191	171.8
[M+CH3COO]-	305.175841	196.0
[M+Na-2H]-	267.136656	158.5
[M]+	246.16144142	154.9
[M]-	246.16253858	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.