CID 128153

102691-36-1

Structural Information

Molecular Formula

C₁₅H₃₂N₃OP

SMILES

CC(C)N(C(C)C)P(N(C(C)C)C(C)C)OCCC#N

InChI

InChI=1S/C15H32N3OP/c1-12(2)17(13(3)4)20(19-11-9-10-16)18(14(5)6)15(7)8/h12-15H,9,11H2,1-8H3

InChIKey

RKVHNYJPIXOHRW-UHFFFAOYSA-N

Compound name

3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 4794
Patents: 301.2283 Da
Monoisotopic Mass: 3.3
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]+	302.23558	176.7
[M+Na]+	324.21752	181.3
[M+NH4]+	319.26212	178.7
[M+K]+	340.19146	175.6
[M-H]-	300.22102	168.9
[M+Na-2H]-	322.20297	174.1
[M]+	301.22775	173.8
[M]-	301.22885	173.8

Literature stripe

literature stripe

Patent stripe

patents stripe