CID 23353646

2-isopropyl-4-methoxybenzoic acid

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

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

InChI

InChI=1S/C11H14O3/c1-7(2)10-6-8(14-3)4-5-9(10)11(12)13/h4-7H,1-3H3,(H,12,13)

InChIKey

ADZHRDGTNDTIKS-UHFFFAOYSA-N

Compound name

4-methoxy-2-propan-2-ylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 194.0943 Da
Monoisotopic Mass: 2.5
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]+	195.101576	140.7
[M+Na]+	217.083518	148.4
[M-H]-	193.087024	143.5
[M+NH4]+	212.128123	159.9
[M+K]+	233.057458	147.2
[M+H-H2O]+	177.091560	135.4
[M+HCOO]-	239.092501	162.1
[M+CH3COO]-	253.108151	184.0
[M+Na-2H]-	215.068966	143.6
[M]+	194.09375142	142.7
[M]-	194.09484858	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe