CID 9332

Uredepa

Structural Information

Molecular Formula

C₇H₁₄N₃O₃P

SMILES

CCOC(=O)NP(=O)(N1CC1)N2CC2

InChI

InChI=1S/C7H14N3O3P/c1-2-13-7(11)8-14(12,9-3-4-9)10-5-6-10/h2-6H2,1H3,(H,8,11,12)

InChIKey

SPDZFJLQFWSJGA-UHFFFAOYSA-N

Compound name

ethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21487
Patents: 219.07729 Da
Monoisotopic Mass: -0.3
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]+	220.08457	133.8
[M+Na]+	242.06651	143.2
[M+NH4]+	237.11111	139.6
[M+K]+	258.04045	144.2
[M-H]-	218.07001	145.0
[M+Na-2H]-	240.05196	142.5
[M]+	219.07674	139.8
[M]-	219.07784	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe