CID 18628338

Hmboa hexose

Structural Information

Molecular Formula

C₈H₁₈NO₂

SMILES

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

InChI

InChI=1S/C8H17NO2/c1-6(2)7(8(10)11)9(3,4)5/h6-7H,1-5H3/p+1

InChIKey

REWYJJRDEOKNBQ-UHFFFAOYSA-O

Compound name

(1-carboxy-2-methylpropyl)-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 296
Patents: 160.13376 Da
Monoisotopic Mass: 1.2
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]+	161.14104	134.3
[M+Na]+	183.12298	144.3
[M+NH4]+	178.16758	142.3
[M+K]+	199.09692	142.2
[M-H]-	159.12648	134.5
[M+Na-2H]-	181.10843	137.7
[M]+	160.13321	135.9
[M]-	160.13431	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe