CID 176472579

2,4-dihydroxy-4-methyl-2-prop-1-en-2-ylhexanedioic acid

Structural Information

Molecular Formula
C10H16O6
SMILES
CC(=C)C(CC(C)(CC(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C10H16O6/c1-6(2)10(16,8(13)14)5-9(3,15)4-7(11)12/h15-16H,1,4-5H2,2-3H3,(H,11,12)(H,13,14)
InChIKey
OOOJQVZVPRMSFY-UHFFFAOYSA-N
Compound name
2,4-dihydroxy-4-methyl-2-prop-1-en-2-ylhexanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.09468 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.101956 149.4
[M+Na]+ 255.083898 153.9
[M-H]- 231.087404 144.0
[M+NH4]+ 250.128503 164.1
[M+K]+ 271.057838 152.9
[M+H-H2O]+ 215.091940 146.0
[M+HCOO]- 277.092881 161.8
[M+CH3COO]- 291.108531 182.2
[M+Na-2H]- 253.069346 151.0
[M]+ 232.09413142 148.3
[M]- 232.09522858 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.