CID 7567026

108342-87-6

Structural Information

Molecular Formula
C26H45NO9
SMILES
CC(C)(C)C(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)N)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChI
InChI=1S/C26H45NO9/c1-23(2,3)19(28)32-13-14-15(34-20(29)24(4,5)6)16(35-21(30)25(7,8)9)17(18(27)33-14)36-22(31)26(10,11)12/h14-18H,13,27H2,1-12H3/t14-,15+,16+,17-,18-/m1/s1
InChIKey
IPRZVEFFDTWBGV-DISONHOPSA-N
Compound name
[(2R,3S,4S,5R,6R)-6-amino-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

33
Patents

515.30945 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.31673 223.6
[M+Na]+ 538.29867 230.2
[M+NH4]+ 533.34327 214.0
[M+K]+ 554.27261 205.8
[M-H]- 514.30217 208.5
[M+Na-2H]- 536.28412 219.9
[M]+ 515.30890 226.7
[M]- 515.31000 226.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe