CID 7010315

73469-54-2

Structural Information

Molecular Formula

C₁₂H₁₆O₃

SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)C(=O)O

InChI

InChI=1S/C12H16O3/c1-12(2,3)8-5-6-10(15-4)9(7-8)11(13)14/h5-7H,1-4H3,(H,13,14)

InChIKey

ZXMIDYAIOHHLRW-UHFFFAOYSA-N

Compound name

5-tert-butyl-2-methoxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 183
Patents: 208.10994 Da
Monoisotopic Mass: 3.3
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]+	209.11722	146.2
[M+Na]+	231.09916	157.8
[M+NH4]+	226.14376	153.3
[M+K]+	247.07310	153.3
[M-H]-	207.10266	146.5
[M+Na-2H]-	229.08461	151.3
[M]+	208.10939	147.9
[M]-	208.11049	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe