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: 23008
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	169.2
[M+Na]+	242.06651	176.0
[M-H]-	218.07001	172.7
[M+NH4]+	237.11111	174.3
[M+K]+	258.04045	173.4
[M+H-H2O]+	202.07455	160.4
[M+HCOO]-	264.07549	191.5
[M+CH3COO]-	278.09114	199.8
[M+Na-2H]-	240.05196	169.6
[M]+	219.07674	174.4
[M]-	219.07784	174.4

Literature stripe

literature stripe

Patent stripe

patents stripe