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]+ 206.00371 141.0
[M+Na]+ 227.98565 151.0
[M-H]- 203.98915 145.2
[M+NH4]+ 223.03025 163.2
[M+K]+ 243.95959 147.3
[M+H-H2O]+ 187.99369 136.9
[M+HCOO]- 249.99463 157.0
[M+CH3COO]- 264.01028 182.8
[M+Na-2H]- 225.97110 141.0
[M]+ 204.99588 145.4
[M]- 204.99698 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.