CID 23006353

893641-32-2

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

CC1=C(C(=NO1)C)CNC

InChI

InChI=1S/C7H12N2O/c1-5-7(4-8-3)6(2)10-9-5/h8H,4H2,1-3H3

InChIKey

KUSBHINLXPYBKU-UHFFFAOYSA-N

Compound name

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 140.09496 Da
Monoisotopic Mass: 0.5
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]+	141.10224	128.4
[M+Na]+	163.08418	139.9
[M+NH4]+	158.12878	136.6
[M+K]+	179.05812	136.4
[M-H]-	139.08768	131.2
[M+Na-2H]-	161.06963	133.6
[M]+	140.09441	130.7
[M]-	140.09551	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe