CID 30912

22041-45-8

Structural Information

Molecular Formula

C₈H₁₉N₂O

SMILES

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

InChI

InChI=1S/C8H18N2O/c1-10(2,3)7-5-4-6-8(9)11/h4-7H2,1-3H3,(H-,9,11)/p+1

InChIKey

IXJGGSSAULIMSL-UHFFFAOYSA-O

Compound name

(5-amino-5-oxopentyl)-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 159.14973 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]+	160.15701	134.0
[M+Na]+	182.13895	139.6
[M-H]-	158.14245	135.3
[M+NH4]+	177.18355	154.9
[M+K]+	198.11289	134.4
[M+H-H2O]+	142.14699	131.9
[M+HCOO]-	204.14793	157.5
[M+CH3COO]-	218.16358	180.1
[M+Na-2H]-	180.12440	141.9
[M]+	159.14918	133.1
[M]-	159.15028	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe