CID 61175059

1-(1,3-thiazol-2-yl)-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C6H6N4S
SMILES
C1=CSC(=N1)N2C=C(C=N2)N
InChI
InChI=1S/C6H6N4S/c7-5-3-9-10(4-5)6-8-1-2-11-6/h1-4H,7H2
InChIKey
KQUNLWGKECAGHA-UHFFFAOYSA-N
Compound name
1-(1,3-thiazol-2-yl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.03131 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03859 129.0
[M+Na]+ 189.02053 141.2
[M-H]- 165.02403 133.4
[M+NH4]+ 184.06513 149.7
[M+K]+ 204.99447 138.4
[M+H-H2O]+ 149.02857 121.7
[M+HCOO]- 211.02951 150.7
[M+CH3COO]- 225.04516 143.8
[M+Na-2H]- 187.00598 132.2
[M]+ 166.03076 131.2
[M]- 166.03186 131.2
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.