CID 17604995

1255717-36-2

Structural Information

Molecular Formula

C₆H₁₁N₃O

SMILES

CC(C)C1=NC(=NO1)CN

InChI

InChI=1S/C6H11N3O/c1-4(2)6-8-5(3-7)9-10-6/h4H,3,7H2,1-2H3

InChIKey

XGPRUICIGLRGSQ-UHFFFAOYSA-N

Compound name

(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 141.09021 Da
Monoisotopic Mass: 0.2
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]+	142.09749	129.4
[M+Na]+	164.07943	137.8
[M-H]-	140.08293	130.9
[M+NH4]+	159.12403	148.4
[M+K]+	180.05337	138.1
[M+H-H2O]+	124.08747	122.4
[M+HCOO]-	186.08841	151.7
[M+CH3COO]-	200.10406	175.8
[M+Na-2H]-	162.06488	134.8
[M]+	141.08966	129.9
[M]-	141.09076	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe