CID 176472544

4,5-dihydroxy-5-methyl-2-prop-1-en-2-ylhexanoic acid

Structural Information

Molecular Formula
C10H18O4
SMILES
CC(=C)C(CC(C(C)(C)O)O)C(=O)O
InChI
InChI=1S/C10H18O4/c1-6(2)7(9(12)13)5-8(11)10(3,4)14/h7-8,11,14H,1,5H2,2-4H3,(H,12,13)
InChIKey
KKDRTXOEUCBUCV-UHFFFAOYSA-N
Compound name
4,5-dihydroxy-5-methyl-2-prop-1-en-2-ylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.12051 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.127786 146.7
[M+Na]+ 225.109728 151.1
[M-H]- 201.113234 142.6
[M+NH4]+ 220.154333 163.5
[M+K]+ 241.083668 150.3
[M+H-H2O]+ 185.117770 142.9
[M+HCOO]- 247.118711 160.6
[M+CH3COO]- 261.134361 181.6
[M+Na-2H]- 223.095176 146.1
[M]+ 202.11996142 145.1
[M]- 202.12105858 145.1
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.