CID 11440

584-44-1

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

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

InChI

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

InChIKey

FZGYCAHIHBHTNY-UHFFFAOYSA-N

Compound name

4-hydroxy-2-methyl-5-propan-2-ylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 68
Patents: 194.0943 Da
Monoisotopic Mass: 2.8
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]+	195.101576	140.6
[M+Na]+	217.083518	148.8
[M-H]-	193.087024	142.3
[M+NH4]+	212.128123	159.3
[M+K]+	233.057458	146.7
[M+H-H2O]+	177.091560	135.7
[M+HCOO]-	239.092501	160.4
[M+CH3COO]-	253.108151	182.7
[M+Na-2H]-	215.068966	142.3
[M]+	194.09375142	141.1
[M]-	194.09484858	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe