CID 25220779

1000896-85-4

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CC1=NOC(=C1)CNC

InChI

InChI=1S/C6H10N2O/c1-5-3-6(4-7-2)9-8-5/h3,7H,4H2,1-2H3

InChIKey

UQKWKRSUELRKSK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 126.079315 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]+	127.08659	124.1
[M+Na]+	149.06853	135.4
[M+NH4]+	144.11314	132.4
[M+K]+	165.04247	132.0
[M-H]-	125.07204	126.8
[M+Na-2H]-	147.05398	129.8
[M]+	126.07877	126.3
[M]-	126.07986	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe