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

24
Patents

180.04697 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05425 134.5
[M+Na]+ 203.03619 146.4
[M+NH4]+ 198.08079 142.9
[M+K]+ 219.01013 142.3
[M-H]- 179.03969 137.0
[M+Na-2H]- 201.02164 141.8
[M]+ 180.04642 137.2
[M]- 180.04752 137.2
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