CID 155389526

2344679-44-1

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 157.2
[M+Na]+ 287.01305 161.9
[M+NH4]+ 282.05765 162.7
[M+K]+ 302.98699 158.2
[M-H]- 263.01655 156.2
[M+Na-2H]- 284.99850 158.6
[M]+ 264.02328 157.9
[M]- 264.02438 157.9
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