CID 23891

7411-16-7

Structural Information

Molecular Formula
C4H7N3
SMILES
CCC1=NC=NN1
InChI
InChI=1S/C4H7N3/c1-2-4-5-3-6-7-4/h3H,2H2,1H3,(H,5,6,7)
InChIKey
JDIPHBYZUMQFQV-UHFFFAOYSA-N
Compound name
5-ethyl-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1076
Patents

97.063995 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.071271 117.1
[M+Na]+ 120.05321 126.2
[M-H]- 96.056719 115.4
[M+NH4]+ 115.09782 137.5
[M+K]+ 136.02715 124.8
[M+H-H2O]+ 80.061255 109.9
[M+HCOO]- 142.06220 138.5
[M+CH3COO]- 156.07785 162.1
[M+Na-2H]- 118.03866 124.9
[M]+ 97.063446 115.5
[M]- 97.064544 115.5
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