CID 333031

6-methylimidazo[2,1-b][1,3]thiazole-5-carbonitrile

Structural Information

Molecular Formula
C7H5N3S
SMILES
CC1=C(N2C=CSC2=N1)C#N
InChI
InChI=1S/C7H5N3S/c1-5-6(4-8)10-2-3-11-7(10)9-5/h2-3H,1H3
InChIKey
AFVXRQLICXOZJZ-UHFFFAOYSA-N
Compound name
6-methylimidazo[2,1-b][1,3]thiazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

163.02042 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.02770 135.1
[M+Na]+ 186.00964 150.1
[M-H]- 162.01314 138.2
[M+NH4]+ 181.05424 156.8
[M+K]+ 201.98358 146.5
[M+H-H2O]+ 146.01768 122.5
[M+HCOO]- 208.01862 151.9
[M+CH3COO]- 222.03427 148.8
[M+Na-2H]- 183.99509 137.9
[M]+ 163.01987 134.9
[M]- 163.02097 134.9
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