CID 98096

3-(2-thienyl)-l-serine

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

199
Patents

187.03032 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.037596 140.0
[M+Na]+ 210.019538 145.7
[M-H]- 186.023044 140.6
[M+NH4]+ 205.064143 159.5
[M+K]+ 225.993478 143.7
[M+H-H2O]+ 170.027580 134.6
[M+HCOO]- 232.028521 155.6
[M+CH3COO]- 246.044171 176.2
[M+Na-2H]- 208.004986 138.7
[M]+ 187.02977142 138.3
[M]- 187.03086858 138.3
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