CID 2734060

4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride

Structural Information

Molecular Formula
C10H17N4O3
SMILES
C[N+]1(CCOCC1)C2=NC(=NC(=N2)OC)OC
InChI
InChI=1S/C10H17N4O3/c1-14(4-6-17-7-5-14)8-11-9(15-2)13-10(12-8)16-3/h4-7H2,1-3H3/q+1
InChIKey
NZBKIOJQXNGENQ-UHFFFAOYSA-N
Compound name
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

43
References

16225
Patents

241.13007 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13735 152.4
[M+Na]+ 264.11929 160.1
[M-H]- 240.12279 154.4
[M+NH4]+ 259.16389 164.8
[M+K]+ 280.09323 154.2
[M+H-H2O]+ 224.12733 145.1
[M+HCOO]- 286.12827 167.6
[M+CH3COO]- 300.14392 183.6
[M+Na-2H]- 262.10474 162.4
[M]+ 241.12952 151.8
[M]- 241.13062 151.8
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