CID 96838

41657-19-6

Structural Information

Molecular Formula

C₁₁H₂₀N₃OP

SMILES

CC1CN1P(=O)(N2CC2)N(CC=C)CC=C

InChI

InChI=1S/C11H20N3OP/c1-4-6-12(7-5-2)16(15,13-8-9-13)14-10-11(14)3/h4-5,11H,1-2,6-10H2,3H3

InChIKey

LXCIHXPVYQKJAG-UHFFFAOYSA-N

Compound name

N-[aziridin-1-yl-(2-methylaziridin-1-yl)phosphoryl]-N-prop-2-enylprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 241.1344 Da
Monoisotopic Mass: 1.3
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]+	242.14168	177.5
[M+Na]+	264.12362	184.1
[M-H]-	240.12712	181.8
[M+NH4]+	259.16822	182.6
[M+K]+	280.09756	180.5
[M+H-H2O]+	224.13166	168.0
[M+HCOO]-	286.13260	199.7
[M+CH3COO]-	300.14825	209.7
[M+Na-2H]-	262.10907	175.7
[M]+	241.13385	182.9
[M]-	241.13495	182.9

Literature stripe

literature stripe

Patent stripe

patents stripe