CID 14226292

123366-50-7

Structural Information

Molecular Formula
C3H5IN4
SMILES
CCN1C(=NN=N1)I
InChI
InChI=1S/C3H5IN4/c1-2-8-3(4)5-6-7-8/h2H2,1H3
InChIKey
ZEJSYASQYGPZNY-UHFFFAOYSA-N
Compound name
1-ethyl-5-iodotetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

223.95589 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.96317 121.5
[M+Na]+ 246.94511 125.2
[M-H]- 222.94861 113.7
[M+NH4]+ 241.98971 136.0
[M+K]+ 262.91905 130.2
[M+H-H2O]+ 206.95315 110.4
[M+HCOO]- 268.95409 138.5
[M+CH3COO]- 282.96974 177.9
[M+Na-2H]- 244.93056 117.8
[M]+ 223.95534 120.2
[M]- 223.95644 120.2
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