CID 5105001

137796-06-6

Structural Information

Molecular Formula

C₁₁H₂₃NO

SMILES

CCC1COC(N1)(C)CCC(C)C

InChI

InChI=1S/C11H23NO/c1-5-10-8-13-11(4,12-10)7-6-9(2)3/h9-10,12H,5-8H2,1-4H3

InChIKey

QJMLZAWFWIPNOD-UHFFFAOYSA-N

Compound name

4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 79
Patents: 185.17796 Da
Monoisotopic Mass: 2.8
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]+	186.185236	145.9
[M+Na]+	208.167178	151.5
[M-H]-	184.170684	146.7
[M+NH4]+	203.211783	166.4
[M+K]+	224.141118	150.9
[M+H-H2O]+	168.175220	140.8
[M+HCOO]-	230.176161	163.1
[M+CH3COO]-	244.191811	181.7
[M+Na-2H]-	206.152626	148.4
[M]+	185.17741142	145.0
[M]-	185.17850858	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe