CID 112640510

1564597-80-3

Structural Information

Molecular Formula
C7H8N4S
SMILES
C1=CN(N=C1N)CC2=CN=CS2
InChI
InChI=1S/C7H8N4S/c8-7-1-2-11(10-7)4-6-3-9-5-12-6/h1-3,5H,4H2,(H2,8,10)
InChIKey
OAPHRNCPIBGLTP-UHFFFAOYSA-N
Compound name
1-(1,3-thiazol-5-ylmethyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.04697 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05425 133.3
[M+Na]+ 203.03619 145.1
[M-H]- 179.03969 137.5
[M+NH4]+ 198.08079 153.5
[M+K]+ 219.01013 142.0
[M+H-H2O]+ 163.04423 125.9
[M+HCOO]- 225.04517 154.8
[M+CH3COO]- 239.06082 147.7
[M+Na-2H]- 201.02164 136.1
[M]+ 180.04642 135.9
[M]- 180.04752 135.9
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

No patent data available for this compound.