CID 78752

Einecs 258-030-7

Structural Information

Molecular Formula
C12H16N3O3
SMILES
COC1=CC(=C(C=C1[N+]#N)OC)N2CCOCC2
InChI
InChI=1S/C12H16N3O3/c1-16-11-8-10(15-3-5-18-6-4-15)12(17-2)7-9(11)14-13/h7-8H,3-6H2,1-2H3/q+1
InChIKey
MADGGJXZXKOPDW-UHFFFAOYSA-N
Compound name
2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

250.11917 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12645 153.2
[M+Na]+ 273.10839 161.6
[M-H]- 249.11189 158.8
[M+NH4]+ 268.15299 166.0
[M+K]+ 289.08233 155.5
[M+H-H2O]+ 233.11643 140.5
[M+HCOO]- 295.11737 170.8
[M+CH3COO]- 309.13302 202.5
[M+Na-2H]- 271.09384 160.6
[M]+ 250.11862 148.3
[M]- 250.11972 148.3
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

patents stripe