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

1
Patents

166.03131 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.038586 129.0
[M+Na]+ 189.020528 141.2
[M-H]- 165.024034 133.4
[M+NH4]+ 184.065133 149.7
[M+K]+ 204.994468 138.4
[M+H-H2O]+ 149.028570 121.7
[M+HCOO]- 211.029511 150.7
[M+CH3COO]- 225.045161 143.8
[M+Na-2H]- 187.005976 132.2
[M]+ 166.03076142 131.2
[M]- 166.03185858 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

patents stripe