CID 36557

33587-51-8

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

CC(C)C1=CC=CC=C1NC2=NCCO2

InChI

InChI=1S/C12H16N2O/c1-9(2)10-5-3-4-6-11(10)14-12-13-7-8-15-12/h3-6,9H,7-8H2,1-2H3,(H,13,14)

InChIKey

MMATURVZOLHANI-UHFFFAOYSA-N

Compound name

N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-oxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 204.12627 Da
Monoisotopic Mass: 2.3
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]+	205.13355	146.4
[M+Na]+	227.11549	152.7
[M-H]-	203.11899	152.3
[M+NH4]+	222.16009	164.1
[M+K]+	243.08943	151.4
[M+H-H2O]+	187.12353	138.8
[M+HCOO]-	249.12447	168.8
[M+CH3COO]-	263.14012	187.0
[M+Na-2H]-	225.10094	151.2
[M]+	204.12572	145.6
[M]-	204.12682	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe