CID 2852749

95211-68-0

Structural Information

Molecular Formula
C10H14N2OS
SMILES
CC1CCC2=C(C1)SC(=C2C(=O)N)N
InChI
InChI=1S/C10H14N2OS/c1-5-2-3-6-7(4-5)14-10(12)8(6)9(11)13/h5H,2-4,12H2,1H3,(H2,11,13)
InChIKey
LSRQCZCDBRHPHQ-UHFFFAOYSA-N
Compound name
2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

14
Patents

210.08269 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08997 144.4
[M+Na]+ 233.07191 151.9
[M-H]- 209.07541 148.1
[M+NH4]+ 228.11651 166.0
[M+K]+ 249.04585 148.3
[M+H-H2O]+ 193.07995 139.4
[M+HCOO]- 255.08089 161.1
[M+CH3COO]- 269.09654 190.3
[M+Na-2H]- 231.05736 144.0
[M]+ 210.08214 141.8
[M]- 210.08324 141.8
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