CID 53480976

(2s)-2,3-dihydroxypropyl (9z)-hexadec-9-enoate

Structural Information

Molecular Formula
C19H36O4
SMILES
CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)O
InChI
InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h7-8,18,20-21H,2-6,9-17H2,1H3/b8-7-/t18-/m0/s1
InChIKey
KVYUBFKSKZWZSV-ZEVQVBBLSA-N
Compound name
[(2S)-2,3-dihydroxypropyl] (Z)-hexadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

990
Patents

328.26135 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.26863 186.9
[M+Na]+ 351.25057 192.3
[M+NH4]+ 346.29517 190.3
[M+K]+ 367.22451 186.4
[M-H]- 327.25407 182.9
[M+Na-2H]- 349.23602 184.6
[M]+ 328.26080 185.9
[M]- 328.26190 185.9
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.