CID 53244246

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

Structural Information

Molecular Formula
C10H11N3
SMILES
CCC1=CN(N=N1)C2=CC=CC=C2
InChI
InChI=1S/C10H11N3/c1-2-9-8-13(12-11-9)10-6-4-3-5-7-10/h3-8H,2H2,1H3
InChIKey
JIHFLRWZBPPLLH-UHFFFAOYSA-N
Compound name
4-ethyl-1-phenyltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

173.09529 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.10257 136.0
[M+Na]+ 196.08451 145.4
[M-H]- 172.08801 139.0
[M+NH4]+ 191.12911 154.0
[M+K]+ 212.05845 142.2
[M+H-H2O]+ 156.09255 127.2
[M+HCOO]- 218.09349 158.6
[M+CH3COO]- 232.10914 149.4
[M+Na-2H]- 194.06996 142.9
[M]+ 173.09474 136.4
[M]- 173.09584 136.4
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