CID 44153011

Sorbitan, mono(2-hydroxypropanoate)

Structural Information

Molecular Formula
C9H16O7
SMILES
CC(C(=O)O[C@H](CO)[C@@H]1[C@@H]([C@H](CO1)O)O)O
InChI
InChI=1S/C9H16O7/c1-4(11)9(14)16-6(2-10)8-7(13)5(12)3-15-8/h4-8,10-13H,2-3H2,1H3/t4?,5-,6+,7+,8+/m0/s1
InChIKey
SKJOWOZGYVXACQ-XUQKIGAKSA-N
Compound name
[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

236.0896 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.096876 150.6
[M+Na]+ 259.078818 154.8
[M-H]- 235.082324 149.1
[M+NH4]+ 254.123423 165.6
[M+K]+ 275.052758 155.5
[M+H-H2O]+ 219.086860 145.9
[M+HCOO]- 281.087801 164.5
[M+CH3COO]- 295.103451 181.0
[M+Na-2H]- 257.064266 149.1
[M]+ 236.08905142 149.6
[M]- 236.09014858 149.6
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