CID 45791957

2-[2-(propan-2-yl)-1,3-thiazol-4-yl]acetonitrile

Structural Information

Molecular Formula
C8H10N2S
SMILES
CC(C)C1=NC(=CS1)CC#N
InChI
InChI=1S/C8H10N2S/c1-6(2)8-10-7(3-4-9)5-11-8/h5-6H,3H2,1-2H3
InChIKey
WSXLBWKWELAHJD-UHFFFAOYSA-N
Compound name
2-(2-propan-2-yl-1,3-thiazol-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.05647 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.063746 137.5
[M+Na]+ 189.045688 148.4
[M-H]- 165.049194 140.5
[M+NH4]+ 184.090293 157.4
[M+K]+ 205.019628 146.3
[M+H-H2O]+ 149.053730 124.9
[M+HCOO]- 211.054671 152.3
[M+CH3COO]- 225.070321 190.7
[M+Na-2H]- 187.031136 138.6
[M]+ 166.05592142 135.2
[M]- 166.05701858 135.2
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

No patent data available for this compound.