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

20
Patents

164.08104 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.088316 132.1
[M+Na]+ 187.070258 143.6
[M-H]- 163.073764 130.9
[M+NH4]+ 182.114863 147.5
[M+K]+ 203.044198 140.5
[M+H-H2O]+ 147.078300 122.1
[M+HCOO]- 209.079241 152.4
[M+CH3COO]- 223.094891 144.8
[M+Na-2H]- 185.055706 138.1
[M]+ 164.08049142 133.0
[M]- 164.08158858 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