CID 15462548

298692-41-8

Structural Information

Molecular Formula

C₄H₁₂N₃O₃P

SMILES

CC(C)OC(=O)NP(=O)(N)N

InChI

InChI=1S/C4H12N3O3P/c1-3(2)10-4(8)7-11(5,6)9/h3H,1-2H3,(H5,5,6,7,8,9)

InChIKey

ZARZBWDSUPTESR-UHFFFAOYSA-N

Compound name

propan-2-yl N-diaminophosphorylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 181.06163 Da
Monoisotopic Mass: -1.4
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]+	182.06891	139.1
[M+Na]+	204.05085	144.5
[M-H]-	180.05435	137.6
[M+NH4]+	199.09545	158.0
[M+K]+	220.02479	145.5
[M+H-H2O]+	164.05889	131.4
[M+HCOO]-	226.05983	167.9
[M+CH3COO]-	240.07548	186.7
[M+Na-2H]-	202.03630	140.3
[M]+	181.06108	137.4
[M]-	181.06218	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe