CID 444078

Threoninamide

Structural Information

Molecular Formula

C₄H₁₀N₂O₂

SMILES

C[C@H]([C@@H](C(=O)N)N)O

InChI

InChI=1S/C4H10N2O2/c1-2(7)3(5)4(6)8/h2-3,7H,5H2,1H3,(H2,6,8)/t2-,3+/m1/s1

InChIKey

PZUOEYPTQJILHP-GBXIJSLDSA-N

Compound name

(2S,3R)-2-amino-3-hydroxybutanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 920
Patents: 118.07423 Da
Monoisotopic Mass: -1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	119.081506	125.3
[M+Na]+	141.063448	130.7
[M-H]-	117.066954	123.5
[M+NH4]+	136.108053	145.6
[M+K]+	157.037388	131.0
[M+H-H2O]+	101.071490	120.3
[M+HCOO]-	163.072431	146.6
[M+CH3COO]-	177.088081	172.8
[M+Na-2H]-	139.048896	127.0
[M]+	118.07368142	120.3
[M]-	118.07477858	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe