CID 106385418

1700164-77-7

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂

SMILES

CC(C)(C)OC(=O)NCC1=CNC=C1

InChI

InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-7-8-4-5-11-6-8/h4-6,11H,7H2,1-3H3,(H,12,13)

InChIKey

SWOZAAWMLQQZOL-UHFFFAOYSA-N

Compound name

tert-butyl N-(1H-pyrrol-3-ylmethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 196.12119 Da
Monoisotopic Mass: 1.2
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]+	197.12847	146.1
[M+Na]+	219.11041	152.2
[M-H]-	195.11391	147.0
[M+NH4]+	214.15501	165.0
[M+K]+	235.08435	150.6
[M+H-H2O]+	179.11845	139.9
[M+HCOO]-	241.11939	167.3
[M+CH3COO]-	255.13504	181.5
[M+Na-2H]-	217.09586	150.8
[M]+	196.12064	145.6
[M]-	196.12174	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe