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]+ 172.04268 135.0
[M+Na]+ 194.02462 142.9
[M-H]- 170.02812 137.3
[M+NH4]+ 189.06922 156.5
[M+K]+ 209.99856 140.2
[M+H-H2O]+ 154.03266 129.7
[M+HCOO]- 216.03360 154.0
[M+CH3COO]- 230.04925 175.9
[M+Na-2H]- 192.01007 135.6
[M]+ 171.03485 135.4
[M]- 171.03595 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