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

4
Patents

326.8564 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.863676 142.0
[M+Na]+ 349.845618 153.0
[M-H]- 325.849124 147.7
[M+NH4]+ 344.890223 161.0
[M+K]+ 365.819558 136.1
[M+H-H2O]+ 309.853660 149.0
[M+HCOO]- 371.854601 153.4
[M+CH3COO]- 385.870251 204.9
[M+Na-2H]- 347.831066 143.9
[M]+ 326.85585142 175.5
[M]- 326.85694858 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