CID 22791920

2639391-10-7

Structural Information

Molecular Formula
C3H6BrNO2
SMILES
C([C@@H](C(=O)O)N)Br
InChI
InChI=1S/C3H6BrNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m0/s1
InChIKey
ORQLXCMGAMWKMJ-REOHCLBHSA-N
Compound name
(2R)-2-amino-3-bromopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

166.95819 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.96547 126.8
[M+Na]+ 189.94741 136.9
[M-H]- 165.95091 128.2
[M+NH4]+ 184.99201 149.1
[M+K]+ 205.92135 126.9
[M+H-H2O]+ 149.95545 126.9
[M+HCOO]- 211.95639 146.4
[M+CH3COO]- 225.97204 175.4
[M+Na-2H]- 187.93286 132.3
[M]+ 166.95764 142.2
[M]- 166.95874 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe