CID 44151365

Dimyristyl tartrate

Structural Information

Molecular Formula
C32H62O6
SMILES
CCCCCCCCCCCCCCOC(=O)[C@@H]([C@H](C(=O)OCCCCCCCCCCCCCC)O)O
InChI
InChI=1S/C32H62O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-37-31(35)29(33)30(34)32(36)38-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33-34H,3-28H2,1-2H3/t29-,30-/m1/s1
InChIKey
QLVARBCGUNCRTA-LOYHVIPDSA-N
Compound name
ditetradecyl (2R,3R)-2,3-dihydroxybutanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

496
Patents

542.45465 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.46193 244.1
[M+Na]+ 565.44387 248.2
[M-H]- 541.44737 233.1
[M+NH4]+ 560.48847 246.1
[M+K]+ 581.41781 248.6
[M+H-H2O]+ 525.45191 244.2
[M+HCOO]- 587.45285 243.3
[M+CH3COO]- 601.46850 250.1
[M+Na-2H]- 563.42932 228.8
[M]+ 542.45410 242.7
[M]- 542.45520 242.7
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