CID 98354

26535-68-2

Structural Information

Molecular Formula

C₁₀H₂₃NO

SMILES

CCCCCCC(C)NCCO

InChI

InChI=1S/C10H23NO/c1-3-4-5-6-7-10(2)11-8-9-12/h10-12H,3-9H2,1-2H3

InChIKey

FTBVOJZWVWWLFB-UHFFFAOYSA-N

Compound name

2-(octan-2-ylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 24
Patents: 173.17796 Da
Monoisotopic Mass: 2.4
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]+	174.185236	145.7
[M+Na]+	196.167178	149.7
[M-H]-	172.170684	143.8
[M+NH4]+	191.211783	165.1
[M+K]+	212.141118	148.4
[M+H-H2O]+	156.175220	140.2
[M+HCOO]-	218.176161	166.9
[M+CH3COO]-	232.191811	184.3
[M+Na-2H]-	194.152626	148.9
[M]+	173.17741142	146.5
[M]-	173.17850858	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe