CID 44454610

1-benzyl-4-(diethoxymethyl)-1,2,3-triazole

Structural Information

Molecular Formula
C14H19N3O2
SMILES
CCOC(C1=CN(N=N1)CC2=CC=CC=C2)OCC
InChI
InChI=1S/C14H19N3O2/c1-3-18-14(19-4-2)13-11-17(16-15-13)10-12-8-6-5-7-9-12/h5-9,11,14H,3-4,10H2,1-2H3
InChIKey
ORQBAXPHPFNXLN-UHFFFAOYSA-N
Compound name
1-benzyl-4-(diethoxymethyl)triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

261.14774 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.15502 161.2
[M+Na]+ 284.13696 173.4
[M+NH4]+ 279.18156 167.7
[M+K]+ 300.11090 168.9
[M-H]- 260.14046 162.6
[M+Na-2H]- 282.12241 168.1
[M]+ 261.14719 163.1
[M]- 261.14829 163.1
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