CID 10866327

3-aminothiophene-2-carbonitrile

Structural Information

Molecular Formula
C5H4N2S
SMILES
C1=CSC(=C1N)C#N
InChI
InChI=1S/C5H4N2S/c6-3-5-4(7)1-2-8-5/h1-2H,7H2
InChIKey
MCAYHCFAVOLZLO-UHFFFAOYSA-N
Compound name
3-aminothiophene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

124.00952 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.01680 128.1
[M+Na]+ 146.99874 139.7
[M-H]- 123.00224 132.3
[M+NH4]+ 142.04334 150.1
[M+K]+ 162.97268 137.2
[M+H-H2O]+ 107.00678 116.5
[M+HCOO]- 169.00772 146.0
[M+CH3COO]- 183.02337 183.1
[M+Na-2H]- 144.98419 130.9
[M]+ 124.00897 123.3
[M]- 124.01007 123.3
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