CID 12168051

N-boc-2-hydroxydimethylsilanyl-pyrrole

Structural Information

Molecular Formula

C₁₁H₁₉NO₃Si

SMILES

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

InChI

InChI=1S/C11H19NO3Si/c1-11(2,3)15-10(13)12-8-6-7-9(12)16(4,5)14/h6-8,14H,1-5H3

InChIKey

RLDVDBYGGISJNL-UHFFFAOYSA-N

Compound name

tert-butyl 2-[hydroxy(dimethyl)silyl]pyrrole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 241.11342 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]+	242.12070	154.7
[M+Na]+	264.10264	162.1
[M-H]-	240.10614	156.0
[M+NH4]+	259.14724	173.2
[M+K]+	280.07658	161.1
[M+H-H2O]+	224.11068	149.6
[M+HCOO]-	286.11162	172.8
[M+CH3COO]-	300.12727	186.5
[M+Na-2H]-	262.08809	158.4
[M]+	241.11287	157.2
[M]-	241.11397	157.2

Literature stripe

literature stripe

Patent stripe

patents stripe