CID 62016014

83918-28-9

Structural Information

Molecular Formula

C₁₂H₂₅NO

SMILES

CCC(C)N(CCO)C1CCCCC1

InChI

InChI=1S/C12H25NO/c1-3-11(2)13(9-10-14)12-7-5-4-6-8-12/h11-12,14H,3-10H2,1-2H3

InChIKey

KYDLJIHLGZYOCL-UHFFFAOYSA-N

Compound name

2-[butan-2-yl(cyclohexyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.19362 Da
Monoisotopic Mass: 2.7
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]+	200.20090	151.5
[M+Na]+	222.18284	153.0
[M-H]-	198.18634	153.4
[M+NH4]+	217.22744	170.0
[M+K]+	238.15678	152.5
[M+H-H2O]+	182.19088	145.0
[M+HCOO]-	244.19182	169.8
[M+CH3COO]-	258.20747	190.1
[M+Na-2H]-	220.16829	152.7
[M]+	199.19307	147.5
[M]-	199.19417	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe