CID 44152610

N-sec-butyl-n-methyl-d-gluconamide

Structural Information

Molecular Formula
C11H23NO6
SMILES
CCC(C)N(C)C(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
InChI
InChI=1S/C11H23NO6/c1-4-6(2)12(3)11(18)10(17)9(16)8(15)7(14)5-13/h6-10,13-17H,4-5H2,1-3H3/t6?,7-,8-,9+,10-/m1/s1
InChIKey
BRWJJCMXKXHBHJ-JOWTZPLGSA-N
Compound name
(2R,3S,4R,5R)-N-butan-2-yl-2,3,4,5,6-pentahydroxy-N-methylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.15253 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.159806 164.0
[M+Na]+ 288.141748 165.0
[M-H]- 264.145254 157.9
[M+NH4]+ 283.186353 176.6
[M+K]+ 304.115688 166.4
[M+H-H2O]+ 248.149790 158.4
[M+HCOO]- 310.150731 175.7
[M+CH3COO]- 324.166381 195.1
[M+Na-2H]- 286.127196 157.8
[M]+ 265.15198142 162.0
[M]- 265.15307858 162.0
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.