CID 137323855

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

Structural Information

Molecular Formula
C18H36O4
SMILES
CCCCCCCCCC/C=C\C[C@H](COC[C@H](CO)O)O
InChI
InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)15-22-16-18(21)14-19/h11-12,17-21H,2-10,13-16H2,1H3/b12-11-/t17-,18+/m1/s1
InChIKey
RPZTXVGKOKEMMN-ZHJNCLIFSA-N
Compound name
(2S)-3-[(Z,2R)-2-hydroxypentadec-4-enoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.26135 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.26863 186.2
[M+Na]+ 339.25057 186.8
[M-H]- 315.25407 180.0
[M+NH4]+ 334.29517 198.5
[M+K]+ 355.22451 183.1
[M+H-H2O]+ 299.25861 179.6
[M+HCOO]- 361.25955 200.6
[M+CH3COO]- 375.27520 203.4
[M+Na-2H]- 337.23602 182.8
[M]+ 316.26080 189.9
[M]- 316.26190 189.9
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.