CID 3041213

53644-98-7

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

CC1(COC(=N1)CC2=CC=C(C=C2)OC)C

InChI

InChI=1S/C13H17NO2/c1-13(2)9-16-12(14-13)8-10-4-6-11(15-3)7-5-10/h4-7H,8-9H2,1-3H3

InChIKey

FCNGYVHWRGIPFH-UHFFFAOYSA-N

Compound name

2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-5H-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 219.12593 Da
Monoisotopic Mass: 2.0
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]+	220.133206	147.3
[M+Na]+	242.115148	156.3
[M-H]-	218.118654	153.9
[M+NH4]+	237.159753	167.3
[M+K]+	258.089088	155.2
[M+H-H2O]+	202.123190	140.8
[M+HCOO]-	264.124131	169.8
[M+CH3COO]-	278.139781	187.7
[M+Na-2H]-	240.100596	153.1
[M]+	219.12538142	150.6
[M]-	219.12647858	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe