CID 673140

120109-75-3

Structural Information

Molecular Formula
C10H13NO2S
SMILES
CCOC(=O)C1=C(SC=C1C2CC2)N
InChI
InChI=1S/C10H13NO2S/c1-2-13-10(12)8-7(6-3-4-6)5-14-9(8)11/h5-6H,2-4,11H2,1H3
InChIKey
OUDJEFKPUDVQBS-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

211.0667 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07398 139.1
[M+Na]+ 234.05592 148.8
[M-H]- 210.05942 146.7
[M+NH4]+ 229.10052 155.1
[M+K]+ 250.02986 145.0
[M+H-H2O]+ 194.06396 133.2
[M+HCOO]- 256.06490 159.1
[M+CH3COO]- 270.08055 189.5
[M+Na-2H]- 232.04137 139.4
[M]+ 211.06615 144.0
[M]- 211.06725 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe