CID 48192

66859-49-2

Structural Information

Molecular Formula

C₁₂H₂₃NO₃

SMILES

CC(C)(C)CC(=O)OCCN1CCOCC1

InChI

InChI=1S/C12H23NO3/c1-12(2,3)10-11(14)16-9-6-13-4-7-15-8-5-13/h4-10H2,1-3H3

InChIKey

NJSSRXJRYDPOKU-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylethyl 3,3-dimethylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 229.1678 Da
Monoisotopic Mass: 1.4
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]+	230.175076	155.9
[M+Na]+	252.157018	159.5
[M-H]-	228.160524	157.4
[M+NH4]+	247.201623	171.1
[M+K]+	268.130958	160.3
[M+H-H2O]+	212.165060	149.1
[M+HCOO]-	274.166001	171.2
[M+CH3COO]-	288.181651	189.2
[M+Na-2H]-	250.142466	160.1
[M]+	229.16725142	156.1
[M]-	229.16834858	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe