CID 11206781

115551-46-7

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂

SMILES

C1CNCC1NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H16N2O2/c15-12(14-11-6-7-13-8-11)16-9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,14,15)

InChIKey

DSOICHFMGRBFCM-UHFFFAOYSA-N

Compound name

benzyl N-pyrrolidin-3-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 223
Patents: 220.12119 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]+	221.12847	149.6
[M+Na]+	243.11041	153.6
[M-H]-	219.11391	152.8
[M+NH4]+	238.15501	166.7
[M+K]+	259.08435	150.7
[M+H-H2O]+	203.11845	141.7
[M+HCOO]-	265.11939	170.5
[M+CH3COO]-	279.13504	184.3
[M+Na-2H]-	241.09586	153.1
[M]+	220.12064	145.2
[M]-	220.12174	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe