CID 162872259

(2s,4s,5s,6r)-4-amino-4,6-dimethyloxane-2,5-diol

Structural Information

Molecular Formula
C7H15NO3
SMILES
C[C@@H]1[C@H]([C@@](C[C@H](O1)O)(C)N)O
InChI
InChI=1S/C7H15NO3/c1-4-6(10)7(2,8)3-5(9)11-4/h4-6,9-10H,3,8H2,1-2H3/t4-,5+,6-,7+/m1/s1
InChIKey
OIJZDPGKNVKVBL-UCROKIRRSA-N
Compound name
(2S,4S,5S,6R)-4-amino-4,6-dimethyloxane-2,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.1052 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.112476 134.0
[M+Na]+ 184.094418 141.1
[M-H]- 160.097924 135.5
[M+NH4]+ 179.139023 154.1
[M+K]+ 200.068358 140.9
[M+H-H2O]+ 144.102460 130.1
[M+HCOO]- 206.103401 151.8
[M+CH3COO]- 220.119051 174.9
[M+Na-2H]- 182.079866 138.7
[M]+ 161.10465142 129.9
[M]- 161.10574858 129.9
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.