CID 44150086

Sorbitan, mono-10-undecenoate

Structural Information

Molecular Formula
C17H30O6
SMILES
C=CCCCCCCCCC(=O)O[C@H](CO)[C@@H]1[C@@H]([C@H](CO1)O)O
InChI
InChI=1S/C17H30O6/c1-2-3-4-5-6-7-8-9-10-15(20)23-14(11-18)17-16(21)13(19)12-22-17/h2,13-14,16-19,21H,1,3-12H2/t13-,14+,16+,17+/m0/s1
InChIKey
RXFIWSTUNSCACT-XOSAIJSUSA-N
Compound name
[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] undec-10-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

330.20422 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.211496 182.9
[M+Na]+ 353.193438 184.9
[M-H]- 329.196944 181.3
[M+NH4]+ 348.238043 195.0
[M+K]+ 369.167378 182.8
[M+H-H2O]+ 313.201480 176.8
[M+HCOO]- 375.202421 196.7
[M+CH3COO]- 389.218071 202.9
[M+Na-2H]- 351.178886 178.9
[M]+ 330.20367142 185.1
[M]- 330.20476858 185.1
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

patents stripe