CID 131802124

Dg(10:0/i-18:0/0:0)

Structural Information

Molecular Formula
C31H60O5
SMILES
CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C31H60O5/c1-4-5-6-7-14-18-21-24-30(33)35-27-29(26-32)36-31(34)25-22-19-16-13-11-9-8-10-12-15-17-20-23-28(2)3/h28-29,32H,4-27H2,1-3H3/t29-/m0/s1
InChIKey
AHTCMTZIYHBWEH-LJAQVGFWSA-N
Compound name
[(2S)-1-decanoyloxy-3-hydroxypropan-2-yl] 16-methylheptadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

512.4441 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.451376 238.6
[M+Na]+ 535.433318 244.5
[M-H]- 511.436824 227.9
[M+NH4]+ 530.477923 242.3
[M+K]+ 551.407258 244.6
[M+H-H2O]+ 495.441360 239.9
[M+HCOO]- 557.442301 240.0
[M+CH3COO]- 571.457951 247.9
[M+Na-2H]- 533.418766 225.0
[M]+ 512.44355142 238.5
[M]- 512.44464858 238.5
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.