CID 9834089

227279-10-9

Structural Information

Molecular Formula
C6H6N2S
SMILES
C1=C(SC(=C1)C#N)CN
InChI
InChI=1S/C6H6N2S/c7-3-5-1-2-6(4-8)9-5/h1-2H,3,7H2
InChIKey
FHYNZXSHHPBOBK-UHFFFAOYSA-N
Compound name
5-(aminomethyl)thiophene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

138.02516 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.03244 124.3
[M+Na]+ 161.01438 134.4
[M+NH4]+ 156.05898 130.3
[M+K]+ 176.98832 125.7
[M-H]- 137.01788 119.6
[M+Na-2H]- 158.99983 127.6
[M]+ 138.02461 123.9
[M]- 138.02571 123.9
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