CID 12679448

75400-57-6

Structural Information

Molecular Formula

C₁₂H₂₁NO₂Si

SMILES

CC(C)(C)OC(=O)N1C=CC=C1[Si](C)(C)C

InChI

InChI=1S/C12H21NO2Si/c1-12(2,3)15-11(14)13-9-7-8-10(13)16(4,5)6/h7-9H,1-6H3

InChIKey

GRYWMWZQJYZJAB-UHFFFAOYSA-N

Compound name

tert-butyl 2-trimethylsilylpyrrole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 239.13416 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]+	240.14144	155.3
[M+Na]+	262.12338	163.0
[M-H]-	238.12688	157.9
[M+NH4]+	257.16798	174.8
[M+K]+	278.09732	162.1
[M+H-H2O]+	222.13142	150.0
[M+HCOO]-	284.13236	174.5
[M+CH3COO]-	298.14801	190.1
[M+Na-2H]-	260.10883	159.0
[M]+	239.13361	158.7
[M]-	239.13471	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe