CID 11344054

2-amino-2-(thiophen-2-yl)acetonitrile hydrochloride

Structural Information

Molecular Formula
C6H6N2S
SMILES
C1=CSC(=C1)C(C#N)N
InChI
InChI=1S/C6H6N2S/c7-4-5(8)6-2-1-3-9-6/h1-3,5H,8H2
InChIKey
NNJQHPAPVHHYEJ-UHFFFAOYSA-N
Compound name
2-amino-2-thiophen-2-ylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

56
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 125.4
[M+Na]+ 161.01438 134.8
[M+NH4]+ 156.05898 131.2
[M+K]+ 176.98832 126.6
[M-H]- 137.01788 120.4
[M+Na-2H]- 158.99983 128.5
[M]+ 138.02461 124.7
[M]- 138.02571 124.7
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