CID 59337154

2044713-18-8

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

CC1=NN=C(O1)COC2CNC2

InChI

InChI=1S/C7H11N3O2/c1-5-9-10-7(12-5)4-11-6-2-8-3-6/h6,8H,2-4H2,1H3

InChIKey

BMABLHRQZGJCSX-UHFFFAOYSA-N

Compound name

2-(azetidin-3-yloxymethyl)-5-methyl-1,3,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 169.08513 Da
Monoisotopic Mass: -0.8
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]+	170.09241	129.4
[M+Na]+	192.07435	136.0
[M-H]-	168.07785	131.2
[M+NH4]+	187.11895	139.1
[M+K]+	208.04829	138.6
[M+H-H2O]+	152.08239	116.6
[M+HCOO]-	214.08333	147.6
[M+CH3COO]-	228.09898	177.9
[M+Na-2H]-	190.05980	135.2
[M]+	169.08458	138.4
[M]-	169.08568	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe