CID 15570319

3-amino-5-methylthiophene-2-carbonitrile

Structural Information

Molecular Formula
C6H6N2S
SMILES
CC1=CC(=C(S1)C#N)N
InChI
InChI=1S/C6H6N2S/c1-4-2-5(8)6(3-7)9-4/h2H,8H2,1H3
InChIKey
QRYUNVRWSZIEDZ-UHFFFAOYSA-N
Compound name
3-amino-5-methylthiophene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

138.02516 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.03244 123.5
[M+Na]+ 161.01438 133.9
[M+NH4]+ 156.05898 129.4
[M+K]+ 176.98832 125.4
[M-H]- 137.01788 118.8
[M+Na-2H]- 158.99983 126.6
[M]+ 138.02461 123.1
[M]- 138.02571 123.1
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

patents stripe