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

3
Patents

166.05647 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06375 142.0
[M+Na]+ 189.04569 151.5
[M-H]- 165.04919 147.2
[M+NH4]+ 184.09029 162.9
[M+K]+ 205.01963 150.1
[M+H-H2O]+ 149.05373 129.3
[M+HCOO]- 211.05467 159.0
[M+CH3COO]- 225.07032 194.8
[M+Na-2H]- 187.03114 143.2
[M]+ 166.05592 139.2
[M]- 166.05702 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