CID 102555199

3-(1-phenyl-1h-1,2,4-triazol-5-yl)morpholine hydrochloride

Structural Information

Molecular Formula
C12H14N4O
SMILES
C1COCC(N1)C2=NC=NN2C3=CC=CC=C3
InChI
InChI=1S/C12H14N4O/c1-2-4-10(5-3-1)16-12(14-9-15-16)11-8-17-7-6-13-11/h1-5,9,11,13H,6-8H2
InChIKey
WXYKTCNZWHGFQV-UHFFFAOYSA-N
Compound name
3-(2-phenyl-1,2,4-triazol-3-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.11676 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.12404 152.4
[M+Na]+ 253.10598 165.8
[M+NH4]+ 248.15058 159.6
[M+K]+ 269.07992 161.4
[M-H]- 229.10948 156.8
[M+Na-2H]- 251.09143 160.5
[M]+ 230.11621 155.4
[M]- 230.11731 155.4
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.