CID 126697412

2090075-70-8

Structural Information

Molecular Formula
C7H8N4S
SMILES
C1=CN(N=C1)C2=NC=C(S2)CN
InChI
InChI=1S/C7H8N4S/c8-4-6-5-9-7(12-6)11-3-1-2-10-11/h1-3,5H,4,8H2
InChIKey
ZFQJRLNVZAQEKX-UHFFFAOYSA-N
Compound name
(2-pyrazol-1-yl-1,3-thiazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

180.04697 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.054246 133.3
[M+Na]+ 203.036188 145.1
[M-H]- 179.039694 137.5
[M+NH4]+ 198.080793 153.5
[M+K]+ 219.010128 142.0
[M+H-H2O]+ 163.044230 125.9
[M+HCOO]- 225.045171 154.8
[M+CH3COO]- 239.060821 147.7
[M+Na-2H]- 201.021636 136.1
[M]+ 180.04642142 135.9
[M]- 180.04751858 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

patents stripe