CID 21834643

Pyrrolidin-2-ylmethyl-carbamic acid tert-butyl ester

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)NCC1CCCN1

InChI

InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-8-5-4-6-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)

InChIKey

DPJPFGHHTJLWQQ-UHFFFAOYSA-N

Compound name

tert-butyl N-(pyrrolidin-2-ylmethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 370
Patents: 200.15248 Da
Monoisotopic Mass: 1.1
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]+	201.159756	149.4
[M+Na]+	223.141698	153.5
[M-H]-	199.145204	149.5
[M+NH4]+	218.186303	168.0
[M+K]+	239.115638	152.3
[M+H-H2O]+	183.149740	143.3
[M+HCOO]-	245.150681	167.7
[M+CH3COO]-	259.166331	182.3
[M+Na-2H]-	221.127146	152.2
[M]+	200.15193142	146.1
[M]-	200.15302858	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe