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
1
Annotation Hits

1
References

1377
Patents

290.17294 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18022 171.7
[M+Na]+ 313.16216 174.3
[M-H]- 289.16566 167.9
[M+NH4]+ 308.20676 185.5
[M+K]+ 329.13610 174.0
[M+H-H2O]+ 273.17020 165.6
[M+HCOO]- 335.17114 187.7
[M+CH3COO]- 349.18679 198.4
[M+Na-2H]- 311.14761 168.7
[M]+ 290.17239 176.8
[M]- 290.17349 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