CID 131802355

Dg(i-15:0/i-16:0/0:0)

Structural Information

Molecular Formula
C34H66O5
SMILES
CC(C)CCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCC(C)C
InChI
InChI=1S/C34H66O5/c1-30(2)24-20-16-12-8-5-6-10-15-19-23-27-34(37)39-32(28-35)29-38-33(36)26-22-18-14-11-7-9-13-17-21-25-31(3)4/h30-32,35H,5-29H2,1-4H3/t32-/m0/s1
InChIKey
ORSUFHUGGRIZLY-YTTGMZPUSA-N
Compound name
[(2S)-1-hydroxy-3-(13-methyltetradecanoyloxy)propan-2-yl] 14-methylpentadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

554.491 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.49828 248.4
[M+Na]+ 577.48022 254.3
[M-H]- 553.48372 238.1
[M+NH4]+ 572.52482 253.6
[M+K]+ 593.45416 256.1
[M+H-H2O]+ 537.48826 249.9
[M+HCOO]- 599.48920 246.3
[M+CH3COO]- 613.50485 257.0
[M+Na-2H]- 575.46567 234.2
[M]+ 554.49045 248.3
[M]- 554.49155 248.3
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.