CID 14226291

5-iodo-1-methyl-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C2H3IN4
SMILES
CN1C(=NN=N1)I
InChI
InChI=1S/C2H3IN4/c1-7-2(3)4-5-6-7/h1H3
InChIKey
HOTGKPZHBAAUIM-UHFFFAOYSA-N
Compound name
5-iodo-1-methyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

209.94025 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.94753 116.7
[M+Na]+ 232.92947 120.9
[M-H]- 208.93297 109.1
[M+NH4]+ 227.97407 131.7
[M+K]+ 248.90341 126.1
[M+H-H2O]+ 192.93751 105.9
[M+HCOO]- 254.93845 134.1
[M+CH3COO]- 268.95410 175.1
[M+Na-2H]- 230.91492 113.6
[M]+ 209.93970 115.1
[M]- 209.94080 115.1
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