CID 3075387

N-d-glucopyranosyldimethylamine hydrochloride

Structural Information

Molecular Formula
C8H17NO5
SMILES
CN(C)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C8H17NO5/c1-9(2)8-7(13)6(12)5(11)4(3-10)14-8/h4-8,10-13H,3H2,1-2H3/t4-,5-,6+,7-,8-/m1/s1
InChIKey
YWLWQPWGBZWCCB-JAJWTYFOSA-N
Compound name
(2R,3R,4S,5S,6R)-2-(dimethylamino)-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

207.11067 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11795 145.1
[M+Na]+ 230.09989 150.9
[M-H]- 206.10339 145.5
[M+NH4]+ 225.14449 160.9
[M+K]+ 246.07383 151.3
[M+H-H2O]+ 190.10793 139.9
[M+HCOO]- 252.10887 161.1
[M+CH3COO]- 266.12452 183.6
[M+Na-2H]- 228.08534 146.7
[M]+ 207.11012 142.8
[M]- 207.11122 142.8
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