CID 96205

6626-36-4

Structural Information

Molecular Formula

C₁₂H₂₃NO₄

SMILES

C=CCOCC(CNCC(COCC=C)O)O

InChI

InChI=1S/C12H23NO4/c1-3-5-16-9-11(14)7-13-8-12(15)10-17-6-4-2/h3-4,11-15H,1-2,5-10H2

InChIKey

FOLUGAPHACONGE-UHFFFAOYSA-N

Compound name

1-[(2-hydroxy-3-prop-2-enoxypropyl)amino]-3-prop-2-enoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 245.1627 Da
Monoisotopic Mass: -0.4
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]+	246.16998	160.0
[M+Na]+	268.15192	165.4
[M+NH4]+	263.19652	164.0
[M+K]+	284.12586	161.7
[M-H]-	244.15542	156.4
[M+Na-2H]-	266.13737	159.2
[M]+	245.16215	159.0
[M]-	245.16325	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe