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]+ 167.06375 137.5
[M+Na]+ 189.04569 148.4
[M-H]- 165.04919 140.5
[M+NH4]+ 184.09029 157.4
[M+K]+ 205.01963 146.3
[M+H-H2O]+ 149.05373 124.9
[M+HCOO]- 211.05467 152.3
[M+CH3COO]- 225.07032 190.7
[M+Na-2H]- 187.03114 138.6
[M]+ 166.05592 135.2
[M]- 166.05702 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.