CID 162939370

N-[(2r,3r,6s)-6-[[acetyl(methyl)amino]methyl]-2-methoxyoxan-3-yl]acetamide

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CC(=O)N[C@@H]1CC[C@H](O[C@H]1OC)CN(C)C(=O)C
InChI
InChI=1S/C12H22N2O4/c1-8(15)13-11-6-5-10(18-12(11)17-4)7-14(3)9(2)16/h10-12H,5-7H2,1-4H3,(H,13,15)/t10-,11+,12+/m0/s1
InChIKey
HFOKEKXUMMHHIX-QJPTWQEYSA-N
Compound name
N-[(2R,3R,6S)-6-[[acetyl(methyl)amino]methyl]-2-methoxyoxan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.15796 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.165236 161.6
[M+Na]+ 281.147178 165.0
[M-H]- 257.150684 166.4
[M+NH4]+ 276.191783 177.1
[M+K]+ 297.121118 167.2
[M+H-H2O]+ 241.155220 154.5
[M+HCOO]- 303.156161 181.6
[M+CH3COO]- 317.171811 204.4
[M+Na-2H]- 279.132626 162.3
[M]+ 258.15741142 162.3
[M]- 258.15850858 162.3
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.