CID 61736625

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

Structural Information

Molecular Formula
C8H14N4O
SMILES
CCC1=NC(=NN1)C2CNCCO2
InChI
InChI=1S/C8H14N4O/c1-2-7-10-8(12-11-7)6-5-9-3-4-13-6/h6,9H,2-5H2,1H3,(H,10,11,12)
InChIKey
RUOBZLJWEMZMRP-UHFFFAOYSA-N
Compound name
2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.11676 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.124036 142.1
[M+Na]+ 205.105978 148.3
[M-H]- 181.109484 140.7
[M+NH4]+ 200.150583 155.2
[M+K]+ 221.079918 145.8
[M+H-H2O]+ 165.114020 132.9
[M+HCOO]- 227.114961 155.8
[M+CH3COO]- 241.130611 152.3
[M+Na-2H]- 203.091426 146.1
[M]+ 182.11621142 136.3
[M]- 182.11730858 136.3
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.