CID 13870762

Dtxsid50930242

Structural Information

Molecular Formula
C19H36O7
SMILES
CCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC)O)O)O
InChI
InChI=1S/C19H36O7/c1-3-4-5-6-7-8-9-10-11-12-15(20)25-13-14-16(21)17(22)18(23)19(24-2)26-14/h14,16-19,21-23H,3-13H2,1-2H3
InChIKey
RWBZTJOMOZRUCK-UHFFFAOYSA-N
Compound name
(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

376.2461 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.25338 193.2
[M+Na]+ 399.23532 195.1
[M-H]- 375.23882 191.5
[M+NH4]+ 394.27992 202.2
[M+K]+ 415.20926 193.8
[M+H-H2O]+ 359.24336 186.1
[M+HCOO]- 421.24430 205.1
[M+CH3COO]- 435.25995 214.2
[M+Na-2H]- 397.22077 189.4
[M]+ 376.24555 197.9
[M]- 376.24665 197.9
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.