CID 58063

Benzyl n-(2-pyrrolidinylethyl)carbamate hydrochloride

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₂

SMILES

C1CCN(C1)CCNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H20N2O2/c17-14(15-8-11-16-9-4-5-10-16)18-12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,15,17)

InChIKey

BEEBBBAXVLJJMK-UHFFFAOYSA-N

Compound name

benzyl N-(2-pyrrolidin-1-ylethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 248.15248 Da
Monoisotopic Mass: 2.0
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]+	249.159756	158.5
[M+Na]+	271.141698	162.0
[M-H]-	247.145204	162.6
[M+NH4]+	266.186303	175.2
[M+K]+	287.115638	159.5
[M+H-H2O]+	231.149740	149.9
[M+HCOO]-	293.150681	180.1
[M+CH3COO]-	307.166331	192.8
[M+Na-2H]-	269.127146	161.3
[M]+	248.15193142	156.6
[M]-	248.15302858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe