CID 88485

Dipentyl tartrate

Structural Information

Molecular Formula
C14H26O6
SMILES
CCCCCOC(=O)[C@@H]([C@H](C(=O)OCCCCC)O)O
InChI
InChI=1S/C14H26O6/c1-3-5-7-9-19-13(17)11(15)12(16)14(18)20-10-8-6-4-2/h11-12,15-16H,3-10H2,1-2H3/t11-,12-/m1/s1
InChIKey
CHNUEARJLWZWOD-VXGBXAGGSA-N
Compound name
dipentyl (2R,3R)-2,3-dihydroxybutanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1412
Patents

290.17294 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.180216 171.7
[M+Na]+ 313.162158 174.3
[M-H]- 289.165664 167.9
[M+NH4]+ 308.206763 185.5
[M+K]+ 329.136098 174.0
[M+H-H2O]+ 273.170200 165.6
[M+HCOO]- 335.171141 187.7
[M+CH3COO]- 349.186791 198.4
[M+Na-2H]- 311.147606 168.7
[M]+ 290.17239142 176.8
[M]- 290.17348858 176.8
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

patents stripe