CID 3626483

Bis(2-cyanoethyl) n,n-diisopropylphosphoramidite

Structural Information

Molecular Formula

C₁₂H₂₂N₃O₂P

SMILES

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

InChI

InChI=1S/C12H22N3O2P/c1-11(2)15(12(3)4)18(16-9-5-7-13)17-10-6-8-14/h11-12H,5-6,9-10H2,1-4H3

InChIKey

LDHWBEHZLFDXCU-UHFFFAOYSA-N

Compound name

3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 912
Patents: 271.14496 Da
Monoisotopic Mass: 1.2
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]+	272.152236	157.0
[M+Na]+	294.134178	162.8
[M-H]-	270.137684	158.6
[M+NH4]+	289.178783	168.4
[M+K]+	310.108118	163.7
[M+H-H2O]+	254.142220	140.4
[M+HCOO]-	316.143161	171.8
[M+CH3COO]-	330.158811	232.3
[M+Na-2H]-	292.119626	154.8
[M]+	271.14441142	153.4
[M]-	271.14550858	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe