CID 66856117

52197-85-0

Structural Information

Molecular Formula
C6H6N2S
SMILES
CC1=NN2C=CSC2=C1
InChI
InChI=1S/C6H6N2S/c1-5-4-6-8(7-5)2-3-9-6/h2-4H,1H3
InChIKey
KUPYOSTZSFXQFI-UHFFFAOYSA-N
Compound name
6-methylpyrazolo[5,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

138.02516 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.03244 124.5
[M+Na]+ 161.01438 137.4
[M+NH4]+ 156.05898 134.6
[M+K]+ 176.98832 132.4
[M-H]- 137.01788 126.2
[M+Na-2H]- 158.99983 130.4
[M]+ 138.02461 127.3
[M]- 138.02571 127.3
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