CID 45088165

(2s,3s)-2-(dimethylamino)-3-hydroxybutanoic acid

Structural Information

Molecular Formula
C6H13NO3
SMILES
C[C@@H]([C@@H](C(=O)O)N(C)C)O
InChI
InChI=1S/C6H13NO3/c1-4(8)5(6(9)10)7(2)3/h4-5,8H,1-3H3,(H,9,10)/t4-,5-/m0/s1
InChIKey
CIVVRPHZRYVSCF-WHFBIAKZSA-N
Compound name
(2S,3S)-2-(dimethylamino)-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.08954 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.09682 132.2
[M+Na]+ 170.07876 137.5
[M-H]- 146.08226 131.3
[M+NH4]+ 165.12336 152.3
[M+K]+ 186.05270 139.0
[M+H-H2O]+ 130.08680 127.4
[M+HCOO]- 192.08774 152.4
[M+CH3COO]- 206.10339 178.1
[M+Na-2H]- 168.06421 133.8
[M]+ 147.08899 131.8
[M]- 147.09009 131.8
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

No patent data available for this compound.