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]+ 183.12404 142.1
[M+Na]+ 205.10598 148.3
[M-H]- 181.10948 140.7
[M+NH4]+ 200.15058 155.2
[M+K]+ 221.07992 145.8
[M+H-H2O]+ 165.11402 132.9
[M+HCOO]- 227.11496 155.8
[M+CH3COO]- 241.13061 152.3
[M+Na-2H]- 203.09143 146.1
[M]+ 182.11621 136.3
[M]- 182.11731 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.