CID 9543684

Dg(16:1/17:1/0:0)[iso2]

Structural Information

Molecular Formula
C36H66O5
SMILES
CCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C36H66O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(39)41-34(32-37)33-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14-17,34,37H,3-13,18-33H2,1-2H3/b16-14-,17-15-/t34-/m0/s1
InChIKey
OYJYEQOXOMXSAZ-FNUVZSCJSA-N
Compound name
[(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-hydroxypropan-2-yl] (Z)-heptadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.491 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.49828 252.1
[M+Na]+ 601.48022 257.8
[M-H]- 577.48372 239.5
[M+NH4]+ 596.52482 254.6
[M+K]+ 617.45416 258.4
[M+H-H2O]+ 561.48826 252.3
[M+HCOO]- 623.48920 255.6
[M+CH3COO]- 637.50485 258.6
[M+Na-2H]- 599.46567 236.6
[M]+ 578.49045 251.2
[M]- 578.49155 251.2
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.