CID 4632240

5-methyl-4-(methylamino)oxane-2,3,5-triol

Structural Information

Molecular Formula
C7H15NO4
SMILES
CC1(COC(C(C1NC)O)O)O
InChI
InChI=1S/C7H15NO4/c1-7(11)3-12-6(10)4(9)5(7)8-2/h4-6,8-11H,3H2,1-2H3
InChIKey
VXWORWYFOFDZLY-UHFFFAOYSA-N
Compound name
5-methyl-4-(methylamino)oxane-2,3,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

286
Patents

177.10011 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.107386 136.7
[M+Na]+ 200.089328 143.3
[M-H]- 176.092834 137.3
[M+NH4]+ 195.133933 155.6
[M+K]+ 216.063268 143.1
[M+H-H2O]+ 160.097370 132.8
[M+HCOO]- 222.098311 153.9
[M+CH3COO]- 236.113961 175.4
[M+Na-2H]- 198.074776 142.1
[M]+ 177.09956142 133.3
[M]- 177.10065858 133.3
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

patents stripe