CID 131802402

Dg(i-16:0/i-12:0/0:0)

Structural Information

Molecular Formula
C31H60O5
SMILES
CC(C)CCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC(C)C
InChI
InChI=1S/C31H60O5/c1-27(2)21-17-13-9-7-5-6-8-10-15-19-23-30(33)35-26-29(25-32)36-31(34)24-20-16-12-11-14-18-22-28(3)4/h27-29,32H,5-26H2,1-4H3/t29-/m0/s1
InChIKey
GFXWPWNOPMPUOU-LJAQVGFWSA-N
Compound name
[(2S)-3-hydroxy-2-(10-methylundecanoyloxy)propyl] 14-methylpentadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.4441 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.45138 237.9
[M+Na]+ 535.43332 244.3
[M-H]- 511.43682 228.7
[M+NH4]+ 530.47792 243.2
[M+K]+ 551.40726 244.9
[M+H-H2O]+ 495.44136 239.8
[M+HCOO]- 557.44230 237.0
[M+CH3COO]- 571.45795 248.7
[M+Na-2H]- 533.41877 225.0
[M]+ 512.44355 238.0
[M]- 512.44465 238.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.