CID 20276

1-iodoundecane

Structural Information

Molecular Formula

C₁₁H₂₃I

SMILES

CCCCCCCCCCCI

InChI

InChI=1S/C11H23I/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3

InChIKey

FKUQOQPBCHJHAP-UHFFFAOYSA-N

Compound name

1-iodoundecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 385
Patents: 282.08444 Da
Monoisotopic Mass: 6.9
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]+	283.09172	157.3
[M+Na]+	305.07366	155.3
[M-H]-	281.07716	149.9
[M+NH4]+	300.11826	172.9
[M+K]+	321.04760	159.3
[M+H-H2O]+	265.08170	148.3
[M+HCOO]-	327.08264	174.1
[M+CH3COO]-	341.09829	193.8
[M+Na-2H]-	303.05911	148.8
[M]+	282.08389	157.9
[M]-	282.08499	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe