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

1273
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 170.1
[M+Na]+ 313.16216 174.8
[M+NH4]+ 308.20676 172.8
[M+K]+ 329.13610 172.9
[M-H]- 289.16566 164.7
[M+Na-2H]- 311.14761 167.5
[M]+ 290.17239 168.5
[M]- 290.17349 168.5
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