CID 135570690

54761-91-0

Structural Information

Molecular Formula
C8H14N5O2
SMILES
C[N+]1(CCOCC1)C2=NC(=NC(=O)N2)N
InChI
InChI=1S/C8H13N5O2/c1-13(2-4-15-5-3-13)7-10-6(9)11-8(14)12-7/h2-5H2,1H3,(H2-,9,10,11,12,14)/p+1
InChIKey
AGFJQLCSJLBRNR-UHFFFAOYSA-O
Compound name
4-amino-6-(4-methylmorpholin-4-ium-4-yl)-1H-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.11475 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.122026 144.7
[M+Na]+ 235.103968 152.5
[M-H]- 211.107474 145.2
[M+NH4]+ 230.148573 157.1
[M+K]+ 251.077908 144.4
[M+H-H2O]+ 195.112010 138.2
[M+HCOO]- 257.112951 159.5
[M+CH3COO]- 271.128601 176.3
[M+Na-2H]- 233.089416 154.8
[M]+ 212.11420142 138.1
[M]- 212.11529858 138.1
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.