CID 119042889

2-amino-6-methoxy-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Structural Information

Molecular Formula
C10H12N2OS
SMILES
COC1CCC2=C(C1)SC(=C2C#N)N
InChI
InChI=1S/C10H12N2OS/c1-13-6-2-3-7-8(5-11)10(12)14-9(7)4-6/h6H,2-4,12H2,1H3
InChIKey
QHJAFTPWGIVJEJ-UHFFFAOYSA-N
Compound name
2-amino-6-methoxy-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.06703 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07431 148.8
[M+Na]+ 231.05625 160.1
[M-H]- 207.05975 153.3
[M+NH4]+ 226.10085 169.2
[M+K]+ 247.03019 155.4
[M+H-H2O]+ 191.06429 137.6
[M+HCOO]- 253.06523 163.1
[M+CH3COO]- 267.08088 198.7
[M+Na-2H]- 229.04170 149.9
[M]+ 208.06648 144.4
[M]- 208.06758 144.4
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

No patent data available for this compound.