CID 14284843

Schembl12694347

Structural Information

Molecular Formula
C7H15NO4
SMILES
CC1C(C(C(C(O1)CO)O)O)N
InChI
InChI=1S/C7H15NO4/c1-3-5(8)7(11)6(10)4(2-9)12-3/h3-7,9-11H,2,8H2,1H3
InChIKey
XJSPDRFMLGJORM-UHFFFAOYSA-N
Compound name
5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

177.10011 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.10739 138.6
[M+Na]+ 200.08933 145.2
[M-H]- 176.09283 138.7
[M+NH4]+ 195.13393 155.5
[M+K]+ 216.06327 144.3
[M+H-H2O]+ 160.09737 133.8
[M+HCOO]- 222.09831 155.1
[M+CH3COO]- 236.11396 176.7
[M+Na-2H]- 198.07478 140.8
[M]+ 177.09956 134.2
[M]- 177.10066 134.2
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