CID 27987

16676-65-6

Structural Information

Molecular Formula

C₅H₁₃N₂O

SMILES

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

InChI

InChI=1S/C5H12N2O/c1-7(2,3)4-5(6)8/h4H2,1-3H3,(H-,6,8)/p+1

InChIKey

HBKZNPWQDQRMOV-UHFFFAOYSA-O

Compound name

(2-amino-2-oxoethyl)-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 177
Patents: 117.10279 Da
Monoisotopic Mass: -0.8
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]+	118.11007	119.7
[M+Na]+	140.09201	126.6
[M-H]-	116.09551	121.6
[M+NH4]+	135.13661	142.2
[M+K]+	156.06595	122.1
[M+H-H2O]+	100.10005	118.2
[M+HCOO]-	162.10099	144.2
[M+CH3COO]-	176.11664	170.9
[M+Na-2H]-	138.07746	129.2
[M]+	117.10224	117.7
[M]-	117.10334	117.7

Literature stripe

literature stripe

Patent stripe

patents stripe