CID 210236

2-(1-pyrrolidinyl)ethyl carbamate

Structural Information

Molecular Formula

C₇H₁₄N₂O₂

SMILES

C1CCN(C1)CCOC(=O)N

InChI

InChI=1S/C7H14N2O2/c8-7(10)11-6-5-9-3-1-2-4-9/h1-6H2,(H2,8,10)

InChIKey

BDUVPKPFEFBMQD-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-ylethyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 158.10553 Da
Monoisotopic Mass: 0.1
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]+	159.112806	135.0
[M+Na]+	181.094748	140.1
[M-H]-	157.098254	136.0
[M+NH4]+	176.139353	155.4
[M+K]+	197.068688	139.8
[M+H-H2O]+	141.102790	128.2
[M+HCOO]-	203.103731	156.7
[M+CH3COO]-	217.119381	176.2
[M+Na-2H]-	179.080196	137.9
[M]+	158.10498142	132.1
[M]-	158.10607858	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe