CID 114450

13052-13-6

Structural Information

Molecular Formula

C₉H₁₈NO₃

SMILES

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

InChI

InChI=1S/C9H18NO3/c1-5-9(12)13-7-8(11)6-10(2,3)4/h5,8,11H,1,6-7H2,2-4H3/q+1

InChIKey

LKTQNKMBWIWRHC-UHFFFAOYSA-N

Compound name

(2-hydroxy-3-prop-2-enoyloxypropyl)-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 635
Patents: 188.12866 Da
Monoisotopic Mass: 0.0
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]+	189.13594	140.0
[M+Na]+	211.11788	145.8
[M-H]-	187.12138	140.5
[M+NH4]+	206.16248	159.5
[M+K]+	227.09182	140.5
[M+H-H2O]+	171.12592	138.3
[M+HCOO]-	233.12686	161.1
[M+CH3COO]-	247.14251	179.2
[M+Na-2H]-	209.10333	146.7
[M]+	188.12811	140.9
[M]-	188.12921	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe