CID 2393448

Ethyl 2-amino-4-cyclohexylthiophene-3-carboxylate

Structural Information

Molecular Formula
C13H19NO2S
SMILES
CCOC(=O)C1=C(SC=C1C2CCCCC2)N
InChI
InChI=1S/C13H19NO2S/c1-2-16-13(15)11-10(8-17-12(11)14)9-6-4-3-5-7-9/h8-9H,2-7,14H2,1H3
InChIKey
WYJCNFXJKNFUBR-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-cyclohexylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

253.11365 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.120926 159.0
[M+Na]+ 276.102868 164.1
[M-H]- 252.106374 164.7
[M+NH4]+ 271.147473 177.8
[M+K]+ 292.076808 161.0
[M+H-H2O]+ 236.110910 152.6
[M+HCOO]- 298.111851 175.0
[M+CH3COO]- 312.127501 193.6
[M+Na-2H]- 274.088316 156.3
[M]+ 253.11310142 157.2
[M]- 253.11419858 157.2
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