CID 155389526

Methyl 2-amino-3-(thiophene-3-sulfonamido)propanoate hydrochloride

Structural Information

Molecular Formula
C8H12N2O4S2
SMILES
COC(=O)C(CNS(=O)(=O)C1=CSC=C1)N
InChI
InChI=1S/C8H12N2O4S2/c1-14-8(11)7(9)4-10-16(12,13)6-2-3-15-5-6/h2-3,5,7,10H,4,9H2,1H3
InChIKey
RHOODXNSSMCZEC-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-(thiophen-3-ylsulfonylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

264.02383 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.03111 157.4
[M+Na]+ 287.01305 163.3
[M-H]- 263.01655 159.9
[M+NH4]+ 282.05765 174.8
[M+K]+ 302.98699 160.2
[M+H-H2O]+ 247.02109 151.0
[M+HCOO]- 309.02203 170.7
[M+CH3COO]- 323.03768 193.1
[M+Na-2H]- 284.99850 157.8
[M]+ 264.02328 159.7
[M]- 264.02438 159.7
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