CID 226786

Glucose aldonitrile pentaacetate

Structural Information

Molecular Formula
C16H21NO10
SMILES
CC(=O)OCC(C(C(C(C#N)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C16H21NO10/c1-8(18)23-7-14(25-10(3)20)16(27-12(5)22)15(26-11(4)21)13(6-17)24-9(2)19/h13-16H,7H2,1-5H3
InChIKey
INCBLRCTSZYSJE-UHFFFAOYSA-N
Compound name
(2,3,4,5-tetraacetyloxy-5-cyanopentyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

387.11655 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.12383 223.9
[M+Na]+ 410.10577 235.6
[M-H]- 386.10927 233.4
[M+NH4]+ 405.15037 241.9
[M+K]+ 426.07971 230.0
[M+H-H2O]+ 370.11381 230.8
[M+HCOO]- 432.11475 223.7
[M+CH3COO]- 446.13040 227.4
[M+Na-2H]- 408.09122 220.5
[M]+ 387.11600 225.6
[M]- 387.11710 225.6
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