CID 87951

19174-30-2

Structural Information

Molecular Formula

C₆H₁₅N₂O

SMILES

C[N+](C)(C)CCC(=O)N

InChI

InChI=1S/C6H14N2O/c1-8(2,3)5-4-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1

InChIKey

VOQDDEZDSQBGQO-UHFFFAOYSA-O

Compound name

(3-amino-3-oxopropyl)-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 131.11844 Da
Monoisotopic Mass: -0.9
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]+	132.12572	124.4
[M+Na]+	154.10766	130.9
[M-H]-	130.11116	126.2
[M+NH4]+	149.15226	146.5
[M+K]+	170.08160	126.2
[M+H-H2O]+	114.11570	122.8
[M+HCOO]-	176.11664	148.7
[M+CH3COO]-	190.13229	173.9
[M+Na-2H]-	152.09311	133.4
[M]+	131.11789	122.8
[M]-	131.11899	122.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe