CID 114256

Isopropyl n,n-dimethylphosphoramidocyanidate

Structural Information

Molecular Formula

C₆H₁₃N₂O₂P

SMILES

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

InChI

InChI=1S/C6H13N2O2P/c1-6(2)10-11(9,5-7)8(3)4/h6H,1-4H3

InChIKey

UQPMVHZOZHVRLJ-UHFFFAOYSA-N

Compound name

[dimethylamino(propan-2-yloxy)phosphoryl]formonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 176.07147 Da
Monoisotopic Mass: 0.5
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]+	177.07875	133.8
[M+Na]+	199.06069	141.9
[M-H]-	175.06419	135.0
[M+NH4]+	194.10529	152.9
[M+K]+	215.03463	143.9
[M+H-H2O]+	159.06873	120.6
[M+HCOO]-	221.06967	158.5
[M+CH3COO]-	235.08532	199.6
[M+Na-2H]-	197.04614	136.8
[M]+	176.07092	132.9
[M]-	176.07202	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe