CID 14870213

(3r)-3-hydroxy-n-methylbutanamide

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

C[C@H](CC(=O)NC)O

InChI

InChI=1S/C5H11NO2/c1-4(7)3-5(8)6-2/h4,7H,3H2,1-2H3,(H,6,8)/t4-/m1/s1

InChIKey

GYZAVDBKZLHXCG-SCSAIBSYSA-N

Compound name

(3R)-3-hydroxy-N-methylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 117.07898 Da
Monoisotopic Mass: -0.8
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]+	118.08626	124.8
[M+Na]+	140.06820	131.0
[M-H]-	116.07170	124.0
[M+NH4]+	135.11280	146.4
[M+K]+	156.04214	131.3
[M+H-H2O]+	100.07624	120.3
[M+HCOO]-	162.07718	147.1
[M+CH3COO]-	176.09283	170.3
[M+Na-2H]-	138.05365	129.5
[M]+	117.07843	123.7
[M]-	117.07953	123.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe