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

31
Patents

253.11365 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.12093 159.0
[M+Na]+ 276.10287 164.1
[M-H]- 252.10637 164.7
[M+NH4]+ 271.14747 177.8
[M+K]+ 292.07681 161.0
[M+H-H2O]+ 236.11091 152.6
[M+HCOO]- 298.11185 175.0
[M+CH3COO]- 312.12750 193.6
[M+Na-2H]- 274.08832 156.3
[M]+ 253.11310 157.2
[M]- 253.11420 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