CID 44146535

93965-18-5

Structural Information

Molecular Formula

C₁₇H₂₅NO₆

SMILES

CCC(COC(=O)CCN1CC1)(COC(=O)C=C)COC(=O)C=C

InChI

InChI=1S/C17H25NO6/c1-4-14(19)22-11-17(6-3,12-23-15(20)5-2)13-24-16(21)7-8-18-9-10-18/h4-5H,1-2,6-13H2,3H3

InChIKey

DKODUJNNJQIUOC-UHFFFAOYSA-N

Compound name

2,2-bis(prop-2-enoyloxymethyl)butyl 3-(aziridin-1-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 339.16818 Da
Monoisotopic Mass: 1.8
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]+	340.175456	184.0
[M+Na]+	362.157398	189.6
[M-H]-	338.160904	185.8
[M+NH4]+	357.202003	191.4
[M+K]+	378.131338	186.0
[M+H-H2O]+	322.165440	176.6
[M+HCOO]-	384.166381	201.2
[M+CH3COO]-	398.182031	211.6
[M+Na-2H]-	360.142846	183.5
[M]+	339.16763142	193.5
[M]-	339.16872858	193.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe