CID 264296

37578-06-6

Structural Information

Molecular Formula
C9H11N3S
SMILES
CN1CCC2=C(C1)SC(=C2C#N)N
InChI
InChI=1S/C9H11N3S/c1-12-3-2-6-7(4-10)9(11)13-8(6)5-12/h2-3,5,11H2,1H3
InChIKey
WVPOJZUKIIRHOQ-UHFFFAOYSA-N
Compound name
2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

43
Patents

193.06737 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.074646 144.1
[M+Na]+ 216.056588 155.5
[M-H]- 192.060094 147.1
[M+NH4]+ 211.101193 163.7
[M+K]+ 232.030528 150.9
[M+H-H2O]+ 176.064630 132.0
[M+HCOO]- 238.065571 157.2
[M+CH3COO]- 252.081221 155.6
[M+Na-2H]- 214.042036 145.3
[M]+ 193.06682142 138.3
[M]- 193.06791858 138.3
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