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

15
Patents

248.09094 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.09822 150.3
[M+Na]+ 271.08016 156.9
[M-H]- 247.08366 153.4
[M+NH4]+ 266.12476 162.9
[M+K]+ 287.05410 149.9
[M+H-H2O]+ 231.08820 145.7
[M+HCOO]- 293.08914 168.2
[M+CH3COO]- 307.10479 183.0
[M+Na-2H]- 269.06561 159.0
[M]+ 248.09039 146.0
[M]- 248.09149 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