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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	252.170656	158.6
[M+Na]+	274.152598	162.2
[M-H]-	250.156104	159.5
[M+NH4]+	269.197203	171.5
[M+K]+	290.126538	159.7
[M+H-H2O]+	234.160640	148.9
[M+HCOO]-	296.161581	170.6
[M+CH3COO]-	310.177231	167.5
[M+Na-2H]-	272.138046	161.4
[M]+	251.16283142	153.1
[M]-	251.16392858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe