CID 20542808

3-(aminomethyl)thiophene-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C6H7NO2S
SMILES
C1=CSC(=C1CN)C(=O)O
InChI
InChI=1S/C6H7NO2S/c7-3-4-1-2-10-5(4)6(8)9/h1-2H,3,7H2,(H,8,9)
InChIKey
NLQNIZWCOYHJSR-UHFFFAOYSA-N
Compound name
3-(aminomethyl)thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

157.01974 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.02702 131.3
[M+Na]+ 180.00896 140.0
[M+NH4]+ 175.05356 139.3
[M+K]+ 195.98290 135.8
[M-H]- 156.01246 132.0
[M+Na-2H]- 177.99441 134.8
[M]+ 157.01919 132.8
[M]- 157.02029 132.8
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

patents stripe