CID 84963

15520-05-5

Structural Information

Molecular Formula

C₁₂H₂₇NO₂

SMILES

CCCCCCCCN(CCO)CCO

InChI

InChI=1S/C12H27NO2/c1-2-3-4-5-6-7-8-13(9-11-14)10-12-15/h14-15H,2-12H2,1H3

InChIKey

QZQNMMLYACBCMJ-UHFFFAOYSA-N

Compound name

2-[2-hydroxyethyl(octyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1387
Patents: 217.20418 Da
Monoisotopic Mass: 2.3
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]+	218.21146	157.5
[M+Na]+	240.19340	160.6
[M-H]-	216.19690	155.1
[M+NH4]+	235.23800	175.1
[M+K]+	256.16734	159.2
[M+H-H2O]+	200.20144	151.4
[M+HCOO]-	262.20238	178.3
[M+CH3COO]-	276.21803	192.3
[M+Na-2H]-	238.17885	159.7
[M]+	217.20363	160.5
[M]-	217.20473	160.5

Literature stripe

literature stripe

Patent stripe

patents stripe