CID 4690543

106966-25-0

Structural Information

Molecular Formula

C₇H₁₇N₂O₂

SMILES

C[N+](C)(C)NCCC(=O)OC

InChI

InChI=1S/C7H17N2O2/c1-9(2,3)8-6-5-7(10)11-4/h8H,5-6H2,1-4H3/q+1

InChIKey

UBIBSCGLWOVZDO-UHFFFAOYSA-N

Compound name

[(3-methoxy-3-oxopropyl)amino]-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 161.129 Da
Monoisotopic Mass: -0.1
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]+	162.136276	132.2
[M+Na]+	184.118218	138.3
[M-H]-	160.121724	134.3
[M+NH4]+	179.162823	153.3
[M+K]+	200.092158	134.1
[M+H-H2O]+	144.126260	130.1
[M+HCOO]-	206.127201	157.0
[M+CH3COO]-	220.142851	179.0
[M+Na-2H]-	182.103666	141.8
[M]+	161.12845142	133.3
[M]-	161.12954858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe