CID 12309184

Schembl5676904

Structural Information

Molecular Formula
C8H17NO3
SMILES
C[C@@H]1C[C@@H]([C@H](C(O1)O)O)N(C)C
InChI
InChI=1S/C8H17NO3/c1-5-4-6(9(2)3)7(10)8(11)12-5/h5-8,10-11H,4H2,1-3H3/t5-,6+,7-,8?/m1/s1
InChIKey
ZOYWWAGVGBSJDL-MOMMNUENSA-N
Compound name
(3R,4S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

175.12085 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.128126 138.8
[M+Na]+ 198.110068 144.8
[M-H]- 174.113574 141.8
[M+NH4]+ 193.154673 157.2
[M+K]+ 214.084008 145.8
[M+H-H2O]+ 158.118110 133.6
[M+HCOO]- 220.119051 157.5
[M+CH3COO]- 234.134701 182.3
[M+Na-2H]- 196.095516 142.0
[M]+ 175.12030142 136.9
[M]- 175.12139858 136.9
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