CID 10702333

2-(dimethylamino)-2-(thiophen-2-yl)acetonitrile

Structural Information

Molecular Formula
C8H10N2S
SMILES
CN(C)C(C#N)C1=CC=CS1
InChI
InChI=1S/C8H10N2S/c1-10(2)7(6-9)8-4-3-5-11-8/h3-5,7H,1-2H3
InChIKey
URQJGINXGUXZQL-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-2-thiophen-2-ylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

166.05647 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.063746 142.0
[M+Na]+ 189.045688 151.5
[M-H]- 165.049194 147.2
[M+NH4]+ 184.090293 162.9
[M+K]+ 205.019628 150.1
[M+H-H2O]+ 149.053730 129.3
[M+HCOO]- 211.054671 159.0
[M+CH3COO]- 225.070321 194.8
[M+Na-2H]- 187.031136 143.2
[M]+ 166.05592142 139.2
[M]- 166.05701858 139.2
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