CID 45602070

1269052-67-6

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

CC(C)C1=CC(=NO1)CNC

InChI

InChI=1S/C8H14N2O/c1-6(2)8-4-7(5-9-3)10-11-8/h4,6,9H,5H2,1-3H3

InChIKey

ULKUMIYKNMTEQS-UHFFFAOYSA-N

Compound name

N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 154.11061 Da
Monoisotopic Mass: 0.9
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]+	155.11789	133.6
[M+Na]+	177.09983	144.1
[M+NH4]+	172.14443	141.5
[M+K]+	193.07377	141.0
[M-H]-	153.10333	136.1
[M+Na-2H]-	175.08528	138.4
[M]+	154.11006	135.6
[M]-	154.11116	135.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.