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

23
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 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

patents stripe