CID 6912877

99244-46-9

Structural Information

Molecular Formula

C₂₃H₄₈NO₂

SMILES

CCCCCCCC/C=C\CCCCCCCC[N+](C)(CCO)CCO

InChI

InChI=1S/C23H48NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(2,20-22-25)21-23-26/h10-11,25-26H,3-9,12-23H2,1-2H3/q+1/b11-10-

InChIKey

SIIMROTZKDKRFD-KHPPLWFESA-N

Compound name

bis(2-hydroxyethyl)-methyl-[(Z)-octadec-9-enyl]azanium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1314
Patents: 370.3685 Da
Monoisotopic Mass: 6.8
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]+	371.375776	203.1
[M+Na]+	393.357718	202.8
[M-H]-	369.361224	199.3
[M+NH4]+	388.402323	215.0
[M+K]+	409.331658	192.2
[M+H-H2O]+	353.365760	198.8
[M+HCOO]-	415.366701	235.0
[M+CH3COO]-	429.382351	216.5
[M+Na-2H]-	391.343166	204.3
[M]+	370.36795142	208.0
[M]-	370.36904858	208.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe