CID 95932

2486-93-3

Structural Information

Molecular Formula

C₈H₁₇N₂O₂P

SMILES

CCCCOP(=O)(N1CC1)N2CC2

InChI

InChI=1S/C8H17N2O2P/c1-2-3-8-12-13(11,9-4-5-9)10-6-7-10/h2-8H2,1H3

InChIKey

RYRMQIBBMYEHMM-UHFFFAOYSA-N

Compound name

1-[aziridin-1-yl(butoxy)phosphoryl]aziridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.10277 Da
Monoisotopic Mass: 0.7
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]+	205.11005	170.1
[M+Na]+	227.09199	177.1
[M-H]-	203.09549	173.3
[M+NH4]+	222.13659	176.0
[M+K]+	243.06593	174.9
[M+H-H2O]+	187.10003	160.6
[M+HCOO]-	249.10097	191.6
[M+CH3COO]-	263.11662	197.8
[M+Na-2H]-	225.07744	170.3
[M]+	204.10222	176.1
[M]-	204.10332	176.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe