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

203
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 140.0
[M+Na]+ 210.01954 145.7
[M-H]- 186.02304 140.6
[M+NH4]+ 205.06414 159.5
[M+K]+ 225.99348 143.7
[M+H-H2O]+ 170.02758 134.6
[M+HCOO]- 232.02852 155.6
[M+CH3COO]- 246.04417 176.2
[M+Na-2H]- 208.00499 138.7
[M]+ 187.02977 138.3
[M]- 187.03087 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