CID 3051326

67400-26-4

Structural Information

Molecular Formula
C11H12N4O3
SMILES
C1COCCN1C2=NNC3=C2C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C11H12N4O3/c16-15(17)8-1-2-10-9(7-8)11(13-12-10)14-3-5-18-6-4-14/h1-2,7H,3-6H2,(H,12,13)
InChIKey
CEIINSLSGDHDFQ-UHFFFAOYSA-N
Compound name
4-(5-nitro-1H-indazol-3-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

248.09094 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.098216 150.3
[M+Na]+ 271.080158 156.9
[M-H]- 247.083664 153.4
[M+NH4]+ 266.124763 162.9
[M+K]+ 287.054098 149.9
[M+H-H2O]+ 231.088200 145.7
[M+HCOO]- 293.089141 168.2
[M+CH3COO]- 307.104791 183.0
[M+Na-2H]- 269.065606 159.0
[M]+ 248.09039142 146.0
[M]- 248.09148858 146.0
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