CID 3048689

1-methyl-2-(5-tetrazolylmethyl)imidazole

Structural Information

Molecular Formula
C6H8N6
SMILES
CN1C=CN=C1CC2=NNN=N2
InChI
InChI=1S/C6H8N6/c1-12-3-2-7-6(12)4-5-8-10-11-9-5/h2-3H,4H2,1H3,(H,8,9,10,11)
InChIKey
UPLAWUWUOQEOAO-UHFFFAOYSA-N
Compound name
5-[(1-methylimidazol-2-yl)methyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

164.08104 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.08832 132.1
[M+Na]+ 187.07026 143.6
[M-H]- 163.07376 130.9
[M+NH4]+ 182.11486 147.5
[M+K]+ 203.04420 140.5
[M+H-H2O]+ 147.07830 122.1
[M+HCOO]- 209.07924 152.4
[M+CH3COO]- 223.09489 144.8
[M+Na-2H]- 185.05571 138.1
[M]+ 164.08049 133.0
[M]- 164.08159 133.0
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