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: 28
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]+	141.102236	128.2
[M+Na]+	163.084178	137.5
[M-H]-	139.087684	131.8
[M+NH4]+	158.128783	149.4
[M+K]+	179.058118	137.5
[M+H-H2O]+	123.092220	122.3
[M+HCOO]-	185.093161	153.2
[M+CH3COO]-	199.108811	177.0
[M+Na-2H]-	161.069626	135.0
[M]+	140.09441142	130.6
[M]-	140.09550858	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe