CID 141416048

5-(1-methyl-1h-pyrazol-5-yl)-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C5H6N6
SMILES
CN1C(=CC=N1)C2=NNN=N2
InChI
InChI=1S/C5H6N6/c1-11-4(2-3-6-11)5-7-9-10-8-5/h2-3H,1H3,(H,7,8,9,10)
InChIKey
GOBIANOHSVKISD-UHFFFAOYSA-N
Compound name
5-(2-methylpyrazol-3-yl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.0654 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07268 127.8
[M+Na]+ 173.05462 139.7
[M-H]- 149.05812 126.8
[M+NH4]+ 168.09922 143.7
[M+K]+ 189.02856 136.9
[M+H-H2O]+ 133.06266 118.0
[M+HCOO]- 195.06360 148.4
[M+CH3COO]- 209.07925 141.0
[M+Na-2H]- 171.04007 134.3
[M]+ 150.06485 128.4
[M]- 150.06595 128.4
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.