CID 80867

Diisopropyl phosphoramidate

Structural Information

Molecular Formula

C₆H₁₆NO₃P

SMILES

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

InChI

InChI=1S/C6H16NO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3,(H2,7,8)

InChIKey

HXJZHJLLMIGFCM-UHFFFAOYSA-N

Compound name

2-[amino(propan-2-yloxy)phosphoryl]oxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 840
Patents: 181.08678 Da
Monoisotopic Mass: -0.1
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]+	182.09406	142.7
[M+Na]+	204.07600	148.8
[M-H]-	180.07950	141.5
[M+NH4]+	199.12060	162.8
[M+K]+	220.04994	150.1
[M+H-H2O]+	164.08404	135.8
[M+HCOO]-	226.08498	169.4
[M+CH3COO]-	240.10063	185.4
[M+Na-2H]-	202.06145	143.5
[M]+	181.08623	145.7
[M]-	181.08733	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe