CID 96837

41657-20-9

Structural Information

Molecular Formula

C₁₂H₂₂N₃OP

SMILES

CC1CN1P(=O)(N2CC2C)N(CC=C)CC=C

InChI

InChI=1S/C12H22N3OP/c1-5-7-13(8-6-2)17(16,14-9-11(14)3)15-10-12(15)4/h5-6,11-12H,1-2,7-10H2,3-4H3

InChIKey

CWZLSGGHNRJZGA-UHFFFAOYSA-N

Compound name

N-bis(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: 3
Patents: 255.15005 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]+	256.15733	180.6
[M+Na]+	278.13927	187.6
[M-H]-	254.14277	185.1
[M+NH4]+	273.18387	185.5
[M+K]+	294.11321	183.6
[M+H-H2O]+	238.14731	171.3
[M+HCOO]-	300.14825	202.5
[M+CH3COO]-	314.16390	213.2
[M+Na-2H]-	276.12472	177.9
[M]+	255.14950	186.7
[M]-	255.15060	186.7

Literature stripe

literature stripe

Patent stripe

patents stripe