CID 176472615

5,6-dihydroxy-2,6-dimethylhept-2-enoic acid

Structural Information

Molecular Formula
C9H16O4
SMILES
CC(=CCC(C(C)(C)O)O)C(=O)O
InChI
InChI=1S/C9H16O4/c1-6(8(11)12)4-5-7(10)9(2,3)13/h4,7,10,13H,5H2,1-3H3,(H,11,12)
InChIKey
SKEZVUIZCLBHFT-UHFFFAOYSA-N
Compound name
5,6-dihydroxy-2,6-dimethylhept-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.10486 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.112136 143.1
[M+Na]+ 211.094078 148.1
[M-H]- 187.097584 139.1
[M+NH4]+ 206.138683 160.6
[M+K]+ 227.068018 147.0
[M+H-H2O]+ 171.102120 139.3
[M+HCOO]- 233.103061 158.2
[M+CH3COO]- 247.118711 176.9
[M+Na-2H]- 209.079526 144.1
[M]+ 188.10431142 141.6
[M]- 188.10540858 141.6
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.