CID 16745403

Hydroxysydonic acid

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

0
Patents

282.14673 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15401 165.6
[M+Na]+ 305.13595 173.4
[M+NH4]+ 300.18055 169.6
[M+K]+ 321.10989 171.7
[M-H]- 281.13945 162.4
[M+Na-2H]- 303.12140 167.1
[M]+ 282.14618 165.5
[M]- 282.14728 165.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.