CID 110209429

3-(1-benzyl-1h-1,2,4-triazol-3-yl)morpholine

Structural Information

Molecular Formula
C13H16N4O
SMILES
C1COCC(N1)C2=NN(C=N2)CC3=CC=CC=C3
InChI
InChI=1S/C13H16N4O/c1-2-4-11(5-3-1)8-17-10-15-13(16-17)12-9-18-7-6-14-12/h1-5,10,12,14H,6-9H2
InChIKey
VSVWEXVHQNNNCH-UHFFFAOYSA-N
Compound name
3-(1-benzyl-1,2,4-triazol-3-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.13242 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.13970 156.9
[M+Na]+ 267.12164 170.0
[M+NH4]+ 262.16624 163.9
[M+K]+ 283.09558 165.4
[M-H]- 243.12514 161.2
[M+Na-2H]- 265.10709 164.6
[M]+ 244.13187 159.8
[M]- 244.13297 159.8
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.