CID 137323856

1-o-(2r-hydroxy-4z-hexadecenyl)-sn-glycerol

Structural Information

Molecular Formula
C19H38O4
SMILES
CCCCCCCCCCC/C=C\C[C@H](COC[C@H](CO)O)O
InChI
InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)16-23-17-19(22)15-20/h12-13,18-22H,2-11,14-17H2,1H3/b13-12-/t18-,19+/m1/s1
InChIKey
CSULARJGHWCHTQ-TWEKRZAHSA-N
Compound name
(2S)-3-[(Z,2R)-2-hydroxyhexadec-4-enoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.277 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.28428 190.6
[M+Na]+ 353.26622 190.8
[M-H]- 329.26972 184.2
[M+NH4]+ 348.31082 202.3
[M+K]+ 369.24016 186.9
[M+H-H2O]+ 313.27426 183.8
[M+HCOO]- 375.27520 204.7
[M+CH3COO]- 389.29085 206.4
[M+Na-2H]- 351.25167 186.7
[M]+ 330.27645 194.7
[M]- 330.27755 194.7
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.