CID 215738

36173-94-1

Structural Information

Molecular Formula
C13H21N3O2
SMILES
C1CCC2=C(C1)C(=NN2)OCCN3CCOCC3
InChI
InChI=1S/C13H21N3O2/c1-2-4-12-11(3-1)13(15-14-12)18-10-7-16-5-8-17-9-6-16/h1-10H2,(H,14,15)
InChIKey
HKXDANMWTBGMKW-UHFFFAOYSA-N
Compound name
4-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yloxy)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

251.16338 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17066 158.6
[M+Na]+ 274.15260 162.2
[M-H]- 250.15610 159.5
[M+NH4]+ 269.19720 171.5
[M+K]+ 290.12654 159.7
[M+H-H2O]+ 234.16064 148.9
[M+HCOO]- 296.16158 170.6
[M+CH3COO]- 310.17723 167.5
[M+Na-2H]- 272.13805 161.4
[M]+ 251.16283 153.1
[M]- 251.16393 153.1
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