CID 14247119

3-iodo-1-(triisopropylsilyl)-1h-pyrrole

Structural Information

Molecular Formula

C₁₃H₂₄INSi

SMILES

CC(C)[Si](C(C)C)(C(C)C)N1C=CC(=C1)I

InChI

InChI=1S/C13H24INSi/c1-10(2)16(11(3)4,12(5)6)15-8-7-13(14)9-15/h7-12H,1-6H3

InChIKey

SOHKSTGARVFEGR-UHFFFAOYSA-N

Compound name

(3-iodopyrrol-1-yl)-tri(propan-2-yl)silane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 349.07227 Da
Monoisotopic Mass: None
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]+	350.07955	166.2
[M+Na]+	372.06149	164.9
[M-H]-	348.06499	161.3
[M+NH4]+	367.10609	180.2
[M+K]+	388.03543	169.2
[M+H-H2O]+	332.06953	156.6
[M+HCOO]-	394.07047	178.9
[M+CH3COO]-	408.08612	203.9
[M+Na-2H]-	370.04694	153.6
[M]+	349.07172	164.7
[M]-	349.07282	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe