CID 131255621

Methyl 4-(aminomethyl)-5-chlorothiophene-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C7H8ClNO2S
SMILES
COC(=O)C1=CC(=C(S1)Cl)CN
InChI
InChI=1S/C7H8ClNO2S/c1-11-7(10)5-2-4(3-9)6(8)12-5/h2H,3,9H2,1H3
InChIKey
CWEGRLJLTBAIIL-UHFFFAOYSA-N
Compound name
methyl 4-(aminomethyl)-5-chlorothiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.99643 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.003706 141.0
[M+Na]+ 227.985648 151.0
[M-H]- 203.989154 145.2
[M+NH4]+ 223.030253 163.2
[M+K]+ 243.959588 147.3
[M+H-H2O]+ 187.993690 136.9
[M+HCOO]- 249.994631 157.0
[M+CH3COO]- 264.010281 182.8
[M+Na-2H]- 225.971096 141.0
[M]+ 204.99588142 145.4
[M]- 204.99697858 145.4
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

No patent data available for this compound.