CID 16745403

Sydonic acid, hydroxy-

Structural Information

Molecular Formula

C₁₅H₂₂O₅

SMILES

CC(C)(CCCC(C)(C1=C(C=C(C=C1)C(=O)O)O)O)O

InChI

InChI=1S/C15H22O5/c1-14(2,19)7-4-8-15(3,20)11-6-5-10(13(17)18)9-12(11)16/h5-6,9,16,19-20H,4,7-8H2,1-3H3,(H,17,18)

InChIKey

YCUWMGPYKGLQQF-UHFFFAOYSA-N

Compound name

4-(2,6-dihydroxy-6-methylheptan-2-yl)-3-hydroxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 1
Patents: 282.14673 Da
Monoisotopic Mass: 2.0
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]+	283.154006	165.6
[M+Na]+	305.135948	170.8
[M-H]-	281.139454	163.7
[M+NH4]+	300.180553	178.9
[M+K]+	321.109888	168.0
[M+H-H2O]+	265.143990	160.8
[M+HCOO]-	327.144931	179.1
[M+CH3COO]-	341.160581	193.2
[M+Na-2H]-	303.121396	168.2
[M]+	282.14618142	165.8
[M]-	282.14727858	165.8

Literature stripe

literature stripe

Patent stripe

patents stripe