CID 216096

37096-91-6

Structural Information

Molecular Formula

C₁₂H₂₅NO₂

SMILES

CC(CCCC(C)(C)O)N1CCOCC1

InChI

InChI=1S/C12H25NO2/c1-11(5-4-6-12(2,3)14)13-7-9-15-10-8-13/h11,14H,4-10H2,1-3H3

InChIKey

MZQMSUYNIVYPOU-UHFFFAOYSA-N

Compound name

2-methyl-6-morpholin-4-ylheptan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 215.18852 Da
Monoisotopic Mass: 1.3
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]+	216.195796	154.7
[M+Na]+	238.177738	157.5
[M-H]-	214.181244	154.7
[M+NH4]+	233.222343	169.8
[M+K]+	254.151678	157.4
[M+H-H2O]+	198.185780	148.2
[M+HCOO]-	260.186721	168.1
[M+CH3COO]-	274.202371	186.7
[M+Na-2H]-	236.163186	158.2
[M]+	215.18797142	152.4
[M]-	215.18906858	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.