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
1
Annotation Hits

0
References

155
Patents

180.97385 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.98113 131.4
[M+Na]+ 203.96307 141.1
[M-H]- 179.96657 132.6
[M+NH4]+ 199.00767 153.2
[M+K]+ 219.93701 130.8
[M+H-H2O]+ 163.97111 131.3
[M+HCOO]- 225.97205 150.7
[M+CH3COO]- 239.98770 178.3
[M+Na-2H]- 201.94852 136.3
[M]+ 180.97330 147.2
[M]- 180.97440 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.