CID 132353799

2138518-26-8

Structural Information

Molecular Formula
C5H6N6S
SMILES
C1=C(N=C(S1)CN)C2=NNN=N2
InChI
InChI=1S/C5H6N6S/c6-1-4-7-3(2-12-4)5-8-10-11-9-5/h2H,1,6H2,(H,8,9,10,11)
InChIKey
PAWDSZWXPAIIFV-UHFFFAOYSA-N
Compound name
[4-(2H-tetrazol-5-yl)-1,3-thiazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.03746 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04474 132.5
[M+Na]+ 205.02668 144.8
[M-H]- 181.03018 133.1
[M+NH4]+ 200.07128 149.1
[M+K]+ 221.00062 140.9
[M+H-H2O]+ 165.03472 124.3
[M+HCOO]- 227.03566 150.5
[M+CH3COO]- 241.05131 145.6
[M+Na-2H]- 203.01213 135.5
[M]+ 182.03691 133.4
[M]- 182.03801 133.4
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.