CID 131802161

Dg(i-12:0/a-17:0/0:0)

Structural Information

Molecular Formula
C32H62O5
SMILES
CCC(C)CCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC(C)C
InChI
InChI=1S/C32H62O5/c1-5-29(4)23-19-15-10-8-6-7-9-11-17-21-25-32(35)37-30(26-33)27-36-31(34)24-20-16-13-12-14-18-22-28(2)3/h28-30,33H,5-27H2,1-4H3/t29?,30-/m0/s1
InChIKey
VWKFCFOFTHXWDJ-ZSXSBBPPSA-N
Compound name
[(2S)-1-hydroxy-3-(10-methylundecanoyloxy)propan-2-yl] 14-methylhexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.4597 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.46698 241.5
[M+Na]+ 549.44892 247.7
[M-H]- 525.45242 231.9
[M+NH4]+ 544.49352 246.7
[M+K]+ 565.42286 248.7
[M+H-H2O]+ 509.45696 243.2
[M+HCOO]- 571.45790 240.1
[M+CH3COO]- 585.47355 251.5
[M+Na-2H]- 547.43437 228.1
[M]+ 526.45915 241.4
[M]- 526.46025 241.4
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.