CID 71683624

1-amino-3-(thiophene-2-sulfonyl)propan-2-ol

Structural Information

Molecular Formula
C7H11NO3S2
SMILES
C1=CSC(=C1)S(=O)(=O)CC(CN)O
InChI
InChI=1S/C7H11NO3S2/c8-4-6(9)5-13(10,11)7-2-1-3-12-7/h1-3,6,9H,4-5,8H2
InChIKey
QQXIHJDHYGACBI-UHFFFAOYSA-N
Compound name
1-amino-3-thiophen-2-ylsulfonylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.01804 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.02532 147.0
[M+Na]+ 244.00726 154.3
[M-H]- 220.01076 148.6
[M+NH4]+ 239.05186 166.1
[M+K]+ 259.98120 150.2
[M+H-H2O]+ 204.01530 141.7
[M+HCOO]- 266.01624 159.0
[M+CH3COO]- 280.03189 181.3
[M+Na-2H]- 241.99271 147.3
[M]+ 221.01749 148.0
[M]- 221.01859 148.0
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

No patent data available for this compound.