CID 42881

Bis(n-methallyldiethanolamine)cobalt bromide

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CC(=C)CN(CCO)CCO

InChI

InChI=1S/C8H17NO2/c1-8(2)7-9(3-5-10)4-6-11/h10-11H,1,3-7H2,2H3

InChIKey

ZBJKLPPGQQDFPX-UHFFFAOYSA-N

Compound name

2-[2-hydroxyethyl(2-methylprop-2-enyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 159.12593 Da
Monoisotopic Mass: 0.2
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]+	160.13321	138.5
[M+Na]+	182.11515	143.4
[M-H]-	158.11865	137.0
[M+NH4]+	177.15975	158.3
[M+K]+	198.08909	142.9
[M+H-H2O]+	142.12319	133.3
[M+HCOO]-	204.12413	159.8
[M+CH3COO]-	218.13978	180.1
[M+Na-2H]-	180.10060	141.5
[M]+	159.12538	138.6
[M]-	159.12648	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe