CID 15510727

2-iodopropanenitrile

Structural Information

Molecular Formula

SMILES

CC(C#N)I

InChI

InChI=1S/C3H4IN/c1-3(4)2-5/h3H,1H3

InChIKey

MEKNBSXCEMCLHJ-UHFFFAOYSA-N

Compound name

2-iodopropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 101
Patents: 180.93884 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]+	181.94612	120.2
[M+Na]+	203.92806	123.6
[M-H]-	179.93156	115.6
[M+NH4]+	198.97266	137.6
[M+K]+	219.90200	128.9
[M+H-H2O]+	163.93610	107.0
[M+HCOO]-	225.93704	135.9
[M+CH3COO]-	239.95269	185.6
[M+Na-2H]-	201.91351	116.1
[M]+	180.93829	113.2
[M]-	180.93939	113.2

Literature stripe

literature stripe

Patent stripe

patents stripe