CID 14872466

1-ethyl-1h-1,2,3-triazole-4-carbaldehyde

Structural Information

Molecular Formula
C5H7N3O
SMILES
CCN1C=C(N=N1)C=O
InChI
InChI=1S/C5H7N3O/c1-2-8-3-5(4-9)6-7-8/h3-4H,2H2,1H3
InChIKey
FSEQIWRKHVDORE-UHFFFAOYSA-N
Compound name
1-ethyltriazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

125.058914 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.06619 122.4
[M+Na]+ 148.04813 132.7
[M-H]- 124.05164 122.4
[M+NH4]+ 143.09274 142.6
[M+K]+ 164.02207 131.8
[M+H-H2O]+ 108.05617 115.1
[M+HCOO]- 170.05712 145.5
[M+CH3COO]- 184.07276 169.9
[M+Na-2H]- 146.03358 129.5
[M]+ 125.05837 124.2
[M]- 125.05946 124.2
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