CID 223464

5-ethyl-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C3H6N4
SMILES
CCC1=NNN=N1
InChI
InChI=1S/C3H6N4/c1-2-3-4-6-7-5-3/h2H2,1H3,(H,4,5,6,7)
InChIKey
KYRMPMCAOPMOIR-UHFFFAOYSA-N
Compound name
5-ethyl-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3923
Patents

98.05925 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.066526 117.4
[M+Na]+ 121.04847 126.9
[M-H]- 97.051974 114.4
[M+NH4]+ 116.09307 136.3
[M+K]+ 137.02241 125.7
[M+H-H2O]+ 81.056510 109.4
[M+HCOO]- 143.05745 137.7
[M+CH3COO]- 157.07310 162.1
[M+Na-2H]- 119.03392 125.5
[M]+ 98.058701 115.9
[M]- 98.059799 115.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe