CID 220771

Diisoamyl tartrate

Structural Information

Molecular Formula
C14H26O6
SMILES
CC(C)CCOC(=O)C(C(C(=O)OCCC(C)C)O)O
InChI
InChI=1S/C14H26O6/c1-9(2)5-7-19-13(17)11(15)12(16)14(18)20-8-6-10(3)4/h9-12,15-16H,5-8H2,1-4H3
InChIKey
VOBHVQRBBHSZAZ-UHFFFAOYSA-N
Compound name
bis(3-methylbutyl) 2,3-dihydroxybutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

290.17294 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.180216 171.2
[M+Na]+ 313.162158 173.4
[M-H]- 289.165664 167.6
[M+NH4]+ 308.206763 184.9
[M+K]+ 329.136098 174.3
[M+H-H2O]+ 273.170200 165.5
[M+HCOO]- 335.171141 185.3
[M+CH3COO]- 349.186791 200.4
[M+Na-2H]- 311.147606 165.9
[M]+ 290.17239142 175.0
[M]- 290.17348858 175.0
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