CID 101032175

2613299-03-7

Structural Information

Molecular Formula

C₄H₈BrNO₂

SMILES

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

InChI

InChI=1S/C4H8BrNO2/c1-8-4(7)3(6)2-5/h3H,2,6H2,1H3/t3-/m0/s1

InChIKey

GYGBHOSOAUCQKD-VKHMYHEASA-N

Compound name

methyl (2R)-2-amino-3-bromopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 180.97385 Da
Monoisotopic Mass: 0.0
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	130.5
[M+Na]+	203.963068	140.8
[M-H]-	179.966574	133.2
[M+NH4]+	199.007673	153.2
[M+K]+	219.937008	131.5
[M+H-H2O]+	163.971110	130.4
[M+HCOO]-	225.972051	151.3
[M+CH3COO]-	239.987701	180.1
[M+Na-2H]-	201.948516	136.1
[M]+	180.97330142	148.1
[M]-	180.97439858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe