CID 73557360

177528-09-5

Structural Information

Molecular Formula
C30H52O10
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)OC(C)C(=O)O
InChI
InChI=1S/C30H52O10/c1-21(2)19-17-15-13-11-9-7-8-10-12-14-16-18-20-26(31)37-23(4)28(34)39-25(6)30(36)40-24(5)29(35)38-22(3)27(32)33/h21-25H,7-20H2,1-6H3,(H,32,33)
InChIKey
RTIGCWPXHHUBEA-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(16-methylheptadecanoyloxy)propanoyloxy]propanoyloxy]propanoyloxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

572.356 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.36328 243.3
[M+Na]+ 595.34522 251.2
[M-H]- 571.34872 246.9
[M+NH4]+ 590.38982 260.9
[M+K]+ 611.31916 252.5
[M+H-H2O]+ 555.35326 248.8
[M+HCOO]- 617.35420 233.1
[M+CH3COO]- 631.36985 255.8
[M+Na-2H]- 593.33067 233.3
[M]+ 572.35545 245.4
[M]- 572.35655 245.4
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

No patent data available for this compound.