CID 28388326

2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylformamido)acetic acid

Structural Information

Molecular Formula
C11H13NO3S
SMILES
C1CCC2=C(C1)C=C(S2)C(=O)NCC(=O)O
InChI
InChI=1S/C11H13NO3S/c13-10(14)6-12-11(15)9-5-7-3-1-2-4-8(7)16-9/h5H,1-4,6H2,(H,12,15)(H,13,14)
InChIKey
ZUCWOWQTTVMESP-UHFFFAOYSA-N
Compound name
2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.06161 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06889 151.6
[M+Na]+ 262.05083 159.0
[M+NH4]+ 257.09543 159.2
[M+K]+ 278.02477 154.5
[M-H]- 238.05433 152.1
[M+Na-2H]- 260.03628 153.6
[M]+ 239.06106 152.8
[M]- 239.06216 152.8
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.