CID 2033049

L-threoninol

Structural Information

Molecular Formula
C4H11NO2
SMILES
C[C@H]([C@@H](CO)N)O
InChI
InChI=1S/C4H11NO2/c1-3(7)4(5)2-6/h3-4,6-7H,2,5H2,1H3/t3-,4-/m1/s1
InChIKey
MUVQIIBPDFTEKM-QWWZWVQMSA-N
Compound name
(2R,3R)-2-aminobutane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

51
References

673
Patents

105.07898 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.08626 120.9
[M+Na]+ 128.06820 128.5
[M+NH4]+ 123.11280 127.7
[M+K]+ 144.04214 125.9
[M-H]- 104.07170 119.0
[M+Na-2H]- 126.05365 122.8
[M]+ 105.07843 120.9
[M]- 105.07953 120.9
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