CID 172681

70942-44-8

Structural Information

Molecular Formula

C₁₁H₂₃N₂O₂

SMILES

CC(=C)C(=O)NCCC[N+](C)(C)CCO

InChI

InChI=1S/C11H22N2O2/c1-10(2)11(15)12-6-5-7-13(3,4)8-9-14/h14H,1,5-9H2,2-4H3/p+1

InChIKey

VZLCCZIYXRIAJN-UHFFFAOYSA-O

Compound name

2-hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 215.17595 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]+	216.18323	149.9
[M+Na]+	238.16517	153.9
[M-H]-	214.16867	149.9
[M+NH4]+	233.20977	167.9
[M+K]+	254.13911	147.6
[M+H-H2O]+	198.17321	147.4
[M+HCOO]-	260.17415	171.0
[M+CH3COO]-	274.18980	188.1
[M+Na-2H]-	236.15062	155.6
[M]+	215.17540	149.2
[M]-	215.17650	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe