CID 137323848

1-o-(2r-methoxy-4z-pentadecenyl)-sn-glycerol

Structural Information

Molecular Formula
C19H38O4
SMILES
CCCCCCCCCC/C=C\C[C@H](COC[C@H](CO)O)OC
InChI
InChI=1S/C19H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(22-2)17-23-16-18(21)15-20/h12-13,18-21H,3-11,14-17H2,1-2H3/b13-12-/t18-,19+/m0/s1
InChIKey
FHBRERJCIAVZRP-FRRBRAEUSA-N
Compound name
(2S)-3-[(Z,2R)-2-methoxypentadec-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 190.4
[M+Na]+ 353.26622 191.1
[M-H]- 329.26972 185.4
[M+NH4]+ 348.31082 202.9
[M+K]+ 369.24016 188.0
[M+H-H2O]+ 313.27426 183.5
[M+HCOO]- 375.27520 206.0
[M+CH3COO]- 389.29085 208.8
[M+Na-2H]- 351.25167 187.0
[M]+ 330.27645 196.5
[M]- 330.27755 196.5
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.