CID 53480976

(2s)-2,3-dihydroxypropyl (9z)-9-hexadecenoate

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
6
Annotation Hits

1
References

1180
Patents

328.26135 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.268626 189.0
[M+Na]+ 351.250568 190.1
[M-H]- 327.254074 184.1
[M+NH4]+ 346.295173 201.6
[M+K]+ 367.224508 186.4
[M+H-H2O]+ 311.258610 182.2
[M+HCOO]- 373.259551 204.9
[M+CH3COO]- 387.275201 207.4
[M+Na-2H]- 349.236016 185.7
[M]+ 328.26080142 194.3
[M]- 328.26189858 194.3
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.