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 123.4
[M+Na]+ 161.01438 136.6
[M-H]- 137.01788 127.2
[M+NH4]+ 156.05898 148.6
[M+K]+ 176.98832 134.7
[M+H-H2O]+ 121.02242 118.3
[M+HCOO]- 183.02336 144.5
[M+CH3COO]- 197.03901 139.5
[M+Na-2H]- 158.99983 127.8
[M]+ 138.02461 128.3
[M]- 138.02571 128.3
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