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

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 170.8
[M-H]- 281.13945 163.7
[M+NH4]+ 300.18055 178.9
[M+K]+ 321.10989 168.0
[M+H-H2O]+ 265.14399 160.8
[M+HCOO]- 327.14493 179.1
[M+CH3COO]- 341.16058 193.2
[M+Na-2H]- 303.12140 168.2
[M]+ 282.14618 165.8
[M]- 282.14728 165.8
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.