CID 155858629

Methyl (2r,3r)-2-amino-3-bromobutanoate hydrochloride

Structural Information

Molecular Formula
C5H10BrNO2
SMILES
C[C@H]([C@@H](C(=O)OC)N)Br
InChI
InChI=1S/C5H10BrNO2/c1-3(6)4(7)5(8)9-2/h3-4H,7H2,1-2H3/t3-,4+/m1/s1
InChIKey
NLDVVTQYHAVPTD-DMTCNVIQSA-N
Compound name
methyl (2R,3R)-2-amino-3-bromobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.98949 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.99677 135.8
[M+Na]+ 217.97871 145.4
[M-H]- 193.98221 138.4
[M+NH4]+ 213.02331 157.9
[M+K]+ 233.95265 136.3
[M+H-H2O]+ 177.98675 135.5
[M+HCOO]- 239.98769 155.3
[M+CH3COO]- 254.00334 183.7
[M+Na-2H]- 215.96416 139.6
[M]+ 194.98894 153.1
[M]- 194.99004 153.1
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.