CID 20098922

2470441-20-2

Structural Information

Molecular Formula
C7H9NO2S
SMILES
C1=C(SC(=C1)C(=O)O)CCN
InChI
InChI=1S/C7H9NO2S/c8-4-3-5-1-2-6(11-5)7(9)10/h1-2H,3-4,8H2,(H,9,10)
InChIKey
GLCYYDYNWMTCJY-UHFFFAOYSA-N
Compound name
5-(2-aminoethyl)thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

171.0354 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.042676 135.0
[M+Na]+ 194.024618 142.9
[M-H]- 170.028124 137.3
[M+NH4]+ 189.069223 156.5
[M+K]+ 209.998558 140.2
[M+H-H2O]+ 154.032660 129.7
[M+HCOO]- 216.033601 154.0
[M+CH3COO]- 230.049251 175.9
[M+Na-2H]- 192.010066 135.6
[M]+ 171.03485142 135.4
[M]- 171.03594858 135.4
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