CID 79782964

Akos018341185

Structural Information

Molecular Formula
C4H6IN3
SMILES
CCN1C=NC(=N1)I
InChI
InChI=1S/C4H6IN3/c1-2-8-3-6-4(5)7-8/h3H,2H2,1H3
InChIKey
VFCLEXDIGHYSIE-UHFFFAOYSA-N
Compound name
1-ethyl-3-iodo-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.96065 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.96793 123.0
[M+Na]+ 245.94987 126.3
[M-H]- 221.95337 116.4
[M+NH4]+ 240.99447 138.8
[M+K]+ 261.92381 131.2
[M+H-H2O]+ 205.95791 112.5
[M+HCOO]- 267.95885 140.9
[M+CH3COO]- 281.97450 177.9
[M+Na-2H]- 243.93532 118.7
[M]+ 222.96010 121.5
[M]- 222.96120 121.5
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

No patent data available for this compound.