CID 62097

55406-53-6

Structural Information

Molecular Formula

C₈H₁₂INO₂

SMILES

CCCCNC(=O)OCC#CI

InChI

InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)

InChIKey

WYVVKGNFXHOCQV-UHFFFAOYSA-N

Compound name

3-iodoprop-2-ynyl N-butylcarbamate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 52
References: 29454
Patents: 280.99127 Da
Monoisotopic Mass: 2.1
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]+	281.99855	148.0
[M+Na]+	303.98049	150.0
[M+NH4]+	299.02509	147.6
[M+K]+	319.95443	144.9
[M-H]-	279.98399	134.5
[M+Na-2H]-	301.96594	137.2
[M]+	280.99072	142.4
[M]-	280.99182	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe