CID 58510235

1199225-39-2

Structural Information

Molecular Formula

C₁₀H₁₈ClNO

SMILES

CC(C)[C@H]1COC(=N1)C(C)(C)CCl

InChI

InChI=1S/C10H18ClNO/c1-7(2)8-5-13-9(12-8)10(3,4)6-11/h7-8H,5-6H2,1-4H3/t8-/m1/s1

InChIKey

KKZCAJJMWXCQPL-MRVPVSSYSA-N

Compound name

(4S)-2-(1-chloro-2-methylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 203.1077 Da
Monoisotopic Mass: 2.6
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]+	204.114976	146.9
[M+Na]+	226.096918	154.7
[M-H]-	202.100424	149.5
[M+NH4]+	221.141523	166.4
[M+K]+	242.070858	153.1
[M+H-H2O]+	186.104960	141.9
[M+HCOO]-	248.105901	161.1
[M+CH3COO]-	262.121551	185.6
[M+Na-2H]-	224.082366	150.4
[M]+	203.10715142	150.0
[M]-	203.10824858	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe