CID 2997881

2-amino-4h,5h,6h,7h,8h-cyclohepta[b]thiophene-3-carboxamide

Structural Information

Molecular Formula
C10H14N2OS
SMILES
C1CCC2=C(CC1)SC(=C2C(=O)N)N
InChI
InChI=1S/C10H14N2OS/c11-9(13)8-6-4-2-1-3-5-7(6)14-10(8)12/h1-5,12H2,(H2,11,13)
InChIKey
LULYZYNTDPUEKK-UHFFFAOYSA-N
Compound name
2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

7
Patents

210.08269 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08997 145.2
[M+Na]+ 233.07191 149.6
[M-H]- 209.07541 149.8
[M+NH4]+ 228.11651 164.8
[M+K]+ 249.04585 150.8
[M+H-H2O]+ 193.07995 140.0
[M+HCOO]- 255.08089 161.2
[M+CH3COO]- 269.09654 190.4
[M+Na-2H]- 231.05736 144.8
[M]+ 210.08214 138.9
[M]- 210.08324 138.9
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