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 151.5
[M+Na]+ 253.10598 157.8
[M-H]- 229.10948 154.5
[M+NH4]+ 248.15058 162.8
[M+K]+ 269.07992 154.2
[M+H-H2O]+ 213.11402 140.7
[M+HCOO]- 275.11496 166.7
[M+CH3COO]- 289.13061 161.7
[M+Na-2H]- 251.09143 156.1
[M]+ 230.11621 146.3
[M]- 230.11731 146.3
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.