CID 21151255

Caprylamidopropylamine oxide

Structural Information

Molecular Formula

C₁₃H₂₈N₂O₂

SMILES

CCCCCCCC(=O)NCCC[N+](C)(C)[O-]

InChI

InChI=1S/C13H28N2O2/c1-4-5-6-7-8-10-13(16)14-11-9-12-15(2,3)17/h4-12H2,1-3H3,(H,14,16)

InChIKey

CRJZSZDHPVDIJD-UHFFFAOYSA-N

Compound name

N,N-dimethyl-3-(octanoylamino)propan-1-amine oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 244.21507 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]+	245.222346	162.3
[M+Na]+	267.204288	165.6
[M-H]-	243.207794	161.6
[M+NH4]+	262.248893	179.4
[M+K]+	283.178228	159.7
[M+H-H2O]+	227.212330	161.4
[M+HCOO]-	289.213271	184.5
[M+CH3COO]-	303.228921	194.1
[M+Na-2H]-	265.189736	167.7
[M]+	244.21452142	163.4
[M]-	244.21561858	163.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe