CID 23422948

6-hydroxy-3,7-dimethyloctanoic acid

Structural Information

Molecular Formula
C10H20O3
SMILES
CC(C)C(CCC(C)CC(=O)O)O
InChI
InChI=1S/C10H20O3/c1-7(2)9(11)5-4-8(3)6-10(12)13/h7-9,11H,4-6H2,1-3H3,(H,12,13)
InChIKey
IQBGVZDRJBTLDN-UHFFFAOYSA-N
Compound name
6-hydroxy-3,7-dimethyloctanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

99
Patents

188.14125 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.14853 147.1
[M+Na]+ 211.13047 151.2
[M-H]- 187.13397 144.1
[M+NH4]+ 206.17507 165.2
[M+K]+ 227.10441 150.8
[M+H-H2O]+ 171.13851 142.4
[M+HCOO]- 233.13945 163.5
[M+CH3COO]- 247.15510 182.6
[M+Na-2H]- 209.11592 145.9
[M]+ 188.14070 147.1
[M]- 188.14180 147.1
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

patents stripe