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 134.1
[M+Na]+ 161.01438 144.3
[M-H]- 137.01788 137.9
[M+NH4]+ 156.05898 155.3
[M+K]+ 176.98832 141.9
[M+H-H2O]+ 121.02242 122.0
[M+HCOO]- 183.02336 150.8
[M+CH3COO]- 197.03901 185.6
[M+Na-2H]- 158.99983 135.9
[M]+ 138.02461 128.7
[M]- 138.02571 128.7
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