CID 127018542

(2r)-2-amino-3-(1,2,5-thiadiazol-3-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C5H7N3O2S
SMILES
C1=NSN=C1CC(C(=O)O)N
InChI
InChI=1S/C5H7N3O2S/c6-4(5(9)10)1-3-2-7-11-8-3/h2,4H,1,6H2,(H,9,10)
InChIKey
ZMPDFMGFOFLPIX-UHFFFAOYSA-N
Compound name
2-amino-3-(1,2,5-thiadiazol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

173.0259 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.03318 133.9
[M+Na]+ 196.01512 141.6
[M-H]- 172.01862 133.5
[M+NH4]+ 191.05972 152.3
[M+K]+ 211.98906 139.8
[M+H-H2O]+ 156.02316 127.1
[M+HCOO]- 218.02410 150.1
[M+CH3COO]- 232.03975 175.1
[M+Na-2H]- 194.00057 135.0
[M]+ 173.02535 133.6
[M]- 173.02645 133.6
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