CID 1512651

(s)-(+)-2-amino-4-bromobutyric acid hydrobromide

Structural Information

Molecular Formula

C₄H₈BrNO₂

SMILES

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

InChI

InChI=1S/C4H8BrNO2/c5-2-1-3(6)4(7)8/h3H,1-2,6H2,(H,7,8)/t3-/m0/s1

InChIKey

LMYNKFDVIZBWDF-VKHMYHEASA-N

Compound name

(2S)-2-amino-4-bromobutanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 372
Patents: 180.97385 Da
Monoisotopic Mass: -2.9
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]+	181.981126	131.4
[M+Na]+	203.963068	141.1
[M-H]-	179.966574	132.6
[M+NH4]+	199.007673	153.2
[M+K]+	219.937008	130.8
[M+H-H2O]+	163.971110	131.3
[M+HCOO]-	225.972051	150.7
[M+CH3COO]-	239.987701	178.3
[M+Na-2H]-	201.948516	136.3
[M]+	180.97330142	147.2
[M]-	180.97439858	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe