CID 493624

.beta.-d-glucopyranoside, methyl 6-deoxy-6-[[(1,1-dimethylethoxy)carbonyl]amino]-

Structural Information

Molecular Formula
C12H23NO7
SMILES
CC(C)(C)OC(=O)NC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC)O)O)O
InChI
InChI=1S/C12H23NO7/c1-12(2,3)20-11(17)13-5-6-7(14)8(15)9(16)10(18-4)19-6/h6-10,14-16H,5H2,1-4H3,(H,13,17)/t6-,7-,8+,9-,10-/m1/s1
InChIKey
YGTIBALVLQZXCM-HOTMZDKISA-N
Compound name
tert-butyl N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.14746 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.15474 165.7
[M+Na]+ 316.13668 170.2
[M-H]- 292.14018 165.7
[M+NH4]+ 311.18128 178.0
[M+K]+ 332.11062 171.1
[M+H-H2O]+ 276.14472 160.3
[M+HCOO]- 338.14566 179.5
[M+CH3COO]- 352.16131 198.2
[M+Na-2H]- 314.12213 167.0
[M]+ 293.14691 166.4
[M]- 293.14801 166.4
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

No patent data available for this compound.