CID 137943203

2-amino-3-(2,5-dibromothiophen-3-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C7H7Br2NO2S
SMILES
C1=C(SC(=C1CC(C(=O)O)N)Br)Br
InChI
InChI=1S/C7H7Br2NO2S/c8-5-2-3(6(9)13-5)1-4(10)7(11)12/h2,4H,1,10H2,(H,11,12)
InChIKey
HACXGNFYNQRXFJ-UHFFFAOYSA-N
Compound name
2-amino-3-(2,5-dibromothiophen-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

326.8564 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.86368 142.0
[M+Na]+ 349.84562 153.0
[M-H]- 325.84912 147.7
[M+NH4]+ 344.89022 161.0
[M+K]+ 365.81956 136.1
[M+H-H2O]+ 309.85366 149.0
[M+HCOO]- 371.85460 153.4
[M+CH3COO]- 385.87025 204.9
[M+Na-2H]- 347.83107 143.9
[M]+ 326.85585 175.5
[M]- 326.85695 175.5
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

patents stripe