CID 98096

32595-59-8

Structural Information

Molecular Formula
C7H9NO3S
SMILES
C1=CSC(=C1)C(C(C(=O)O)N)O
InChI
InChI=1S/C7H9NO3S/c8-5(7(10)11)6(9)4-2-1-3-12-4/h1-3,5-6,9H,8H2,(H,10,11)
InChIKey
GNUCLSFLDHLOBV-UHFFFAOYSA-N
Compound name
2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

187.03032 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.03760 139.1
[M+Na]+ 210.01954 145.4
[M+NH4]+ 205.06414 145.7
[M+K]+ 225.99348 143.3
[M-H]- 186.02304 138.2
[M+Na-2H]- 208.00499 140.9
[M]+ 187.02977 139.6
[M]- 187.03087 139.6
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