CID 3284954

2-amino-n-cyclopropylthiophene-3-carboxamide

Structural Information

Molecular Formula
C8H10N2OS
SMILES
C1CC1NC(=O)C2=C(SC=C2)N
InChI
InChI=1S/C8H10N2OS/c9-7-6(3-4-12-7)8(11)10-5-1-2-5/h3-5H,1-2,9H2,(H,10,11)
InChIKey
INQNQYOYQKKZQT-UHFFFAOYSA-N
Compound name
2-amino-N-cyclopropylthiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

182.05139 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.058666 129.2
[M+Na]+ 205.040608 138.2
[M-H]- 181.044114 136.7
[M+NH4]+ 200.085213 145.8
[M+K]+ 221.014548 134.3
[M+H-H2O]+ 165.048650 123.2
[M+HCOO]- 227.049591 150.7
[M+CH3COO]- 241.065241 185.5
[M+Na-2H]- 203.026056 131.8
[M]+ 182.05084142 131.0
[M]- 182.05193858 131.0
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