CID 131802153

Dg(i-12:0/a-15:0/0:0)

Structural Information

Molecular Formula
C30H58O5
SMILES
CCC(C)CCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC(C)C
InChI
InChI=1S/C30H58O5/c1-5-27(4)21-17-13-8-6-7-9-15-19-23-30(33)35-28(24-31)25-34-29(32)22-18-14-11-10-12-16-20-26(2)3/h26-28,31H,5-25H2,1-4H3/t27?,28-/m0/s1
InChIKey
BWZVQLZHUUALLN-CPRJBALCSA-N
Compound name
[(2S)-1-hydroxy-3-(10-methylundecanoyloxy)propan-2-yl] 12-methyltetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.42844 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.43572 234.4
[M+Na]+ 521.41766 241.0
[M-H]- 497.42116 225.6
[M+NH4]+ 516.46226 239.7
[M+K]+ 537.39160 241.2
[M+H-H2O]+ 481.42570 236.4
[M+HCOO]- 543.42664 233.9
[M+CH3COO]- 557.44229 245.9
[M+Na-2H]- 519.40311 221.9
[M]+ 498.42789 234.5
[M]- 498.42899 234.5
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.