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
5
Annotation Hits

1
References

1251
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 189.0
[M+Na]+ 351.25057 190.1
[M-H]- 327.25407 184.1
[M+NH4]+ 346.29517 201.6
[M+K]+ 367.22451 186.4
[M+H-H2O]+ 311.25861 182.2
[M+HCOO]- 373.25955 204.9
[M+CH3COO]- 387.27520 207.4
[M+Na-2H]- 349.23602 185.7
[M]+ 328.26080 194.3
[M]- 328.26190 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

literature stripe

Patent stripe

patents stripe