CID 122164320

Methyl (2s)-2-amino-3-(3-bromothiophen-2-yl)propanoate hydrochloride

Structural Information

Molecular Formula
C8H10BrNO2S
SMILES
COC(=O)[C@H](CC1=C(C=CS1)Br)N
InChI
InChI=1S/C8H10BrNO2S/c1-12-8(11)6(10)4-7-5(9)2-3-13-7/h2-3,6H,4,10H2,1H3/t6-/m0/s1
InChIKey
IPYGPENSQOQONT-LURJTMIESA-N
Compound name
methyl (2S)-2-amino-3-(3-bromothiophen-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.96155 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.96883 146.0
[M+Na]+ 285.95077 157.2
[M-H]- 261.95427 152.2
[M+NH4]+ 280.99537 168.1
[M+K]+ 301.92471 146.1
[M+H-H2O]+ 245.95881 145.6
[M+HCOO]- 307.95975 162.9
[M+CH3COO]- 321.97540 191.6
[M+Na-2H]- 283.93622 147.3
[M]+ 262.96100 166.2
[M]- 262.96210 166.2
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.