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 131.6
[M+Na]+ 161.01438 143.6
[M-H]- 137.01788 136.1
[M+NH4]+ 156.05898 153.5
[M+K]+ 176.98832 141.0
[M+H-H2O]+ 121.02242 120.2
[M+HCOO]- 183.02336 149.3
[M+CH3COO]- 197.03901 186.9
[M+Na-2H]- 158.99983 133.5
[M]+ 138.02461 127.5
[M]- 138.02571 127.5
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