CID 2582

Carpronium

Structural Information

Molecular Formula

C₈H₁₈NO₂

SMILES

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

InChI

InChI=1S/C8H18NO2/c1-9(2,3)7-5-6-8(10)11-4/h5-7H2,1-4H3/q+1

InChIKey

XQSLKIBWQSTAGK-UHFFFAOYSA-N

Compound name

(4-methoxy-4-oxobutyl)-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 13
References: 2669
Patents: 160.13376 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]+	161.14104	133.5
[M+Na]+	183.12298	140.1
[M-H]-	159.12648	135.6
[M+NH4]+	178.16758	155.1
[M+K]+	199.09692	135.8
[M+H-H2O]+	143.13102	131.8
[M+HCOO]-	205.13196	157.0
[M+CH3COO]-	219.14761	177.4
[M+Na-2H]-	181.10843	142.3
[M]+	160.13321	135.9
[M]-	160.13431	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe