CID 686256

13882-73-0

Structural Information

Molecular Formula
C8H11ClN4O2
SMILES
COC1=NC(=NC(=N1)N2CCOCC2)Cl
InChI
InChI=1S/C8H11ClN4O2/c1-14-8-11-6(9)10-7(12-8)13-2-4-15-5-3-13/h2-5H2,1H3
InChIKey
QZVKLRQIMUKUBT-UHFFFAOYSA-N
Compound name
4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

230.05705 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06433 148.6
[M+Na]+ 253.04627 157.1
[M-H]- 229.04977 149.7
[M+NH4]+ 248.09087 160.2
[M+K]+ 269.02021 154.8
[M+H-H2O]+ 213.05431 138.5
[M+HCOO]- 275.05525 159.7
[M+CH3COO]- 289.07090 159.5
[M+Na-2H]- 251.03172 155.1
[M]+ 230.05650 149.0
[M]- 230.05760 149.0
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

patents stripe