CID 4417379

51420-46-3

Structural Information

Molecular Formula
C6H11N5O
SMILES
C1COCCN1C2=NNC(=N2)N
InChI
InChI=1S/C6H11N5O/c7-5-8-6(10-9-5)11-1-3-12-4-2-11/h1-4H2,(H3,7,8,9,10)
InChIKey
BPOWERXZKXCBFE-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-1H-1,2,4-triazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

70
Patents

169.09636 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.103636 136.2
[M+Na]+ 192.085578 142.9
[M-H]- 168.089084 136.0
[M+NH4]+ 187.130183 150.0
[M+K]+ 208.059518 141.2
[M+H-H2O]+ 152.093620 126.8
[M+HCOO]- 214.094561 152.5
[M+CH3COO]- 228.110211 147.1
[M+Na-2H]- 190.071026 141.3
[M]+ 169.09581142 129.9
[M]- 169.09690858 129.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe