CID 226311

N-(2-hydroxyethyl)hexonamide

Structural Information

Molecular Formula
C8H17NO7
SMILES
C(CO)NC(=O)C(C(C(C(CO)O)O)O)O
InChI
InChI=1S/C8H17NO7/c10-2-1-9-8(16)7(15)6(14)5(13)4(12)3-11/h4-7,10-15H,1-3H2,(H,9,16)
InChIKey
DTMUKVUZNZJFNO-UHFFFAOYSA-N
Compound name
2,3,4,5,6-pentahydroxy-N-(2-hydroxyethyl)hexanamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

83
Patents

239.1005 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10778 153.2
[M+Na]+ 262.08972 154.6
[M-H]- 238.09322 144.5
[M+NH4]+ 257.13432 165.3
[M+K]+ 278.06366 154.6
[M+H-H2O]+ 222.09776 147.6
[M+HCOO]- 284.09870 164.9
[M+CH3COO]- 298.11435 182.2
[M+Na-2H]- 260.07517 149.9
[M]+ 239.09995 148.9
[M]- 239.10105 148.9
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