CID 29893179

1082766-34-4

Structural Information

Molecular Formula

C₆H₁₁N₃O

SMILES

CCNCC1=NC(=NO1)C

InChI

InChI=1S/C6H11N3O/c1-3-7-4-6-8-5(2)9-10-6/h7H,3-4H2,1-2H3

InChIKey

REYGCAPKUGCICS-UHFFFAOYSA-N

Compound name

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 141.09021 Da
Monoisotopic Mass: 0.3
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]+	142.097486	128.2
[M+Na]+	164.079428	136.9
[M-H]-	140.082934	130.0
[M+NH4]+	159.124033	147.6
[M+K]+	180.053368	137.1
[M+H-H2O]+	124.087470	121.1
[M+HCOO]-	186.088411	152.1
[M+CH3COO]-	200.104061	175.6
[M+Na-2H]-	162.064876	136.0
[M]+	141.08966142	130.3
[M]-	141.09075858	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe