CID 21132732

Methyl n-(pyrrolidin-3-yl)carbamate hydrochloride

Structural Information

Molecular Formula

C₆H₁₂N₂O₂

SMILES

COC(=O)NC1CCNC1

InChI

InChI=1S/C6H12N2O2/c1-10-6(9)8-5-2-3-7-4-5/h5,7H,2-4H2,1H3,(H,8,9)

InChIKey

FMPLMLGQGLTMRJ-UHFFFAOYSA-N

Compound name

methyl N-pyrrolidin-3-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 144.08987 Da
Monoisotopic Mass: -0.3
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]+	145.09715	131.0
[M+Na]+	167.07909	136.2
[M-H]-	143.08259	131.3
[M+NH4]+	162.12369	151.6
[M+K]+	183.05303	135.6
[M+H-H2O]+	127.08713	124.7
[M+HCOO]-	189.08807	152.2
[M+CH3COO]-	203.10372	170.6
[M+Na-2H]-	165.06454	135.0
[M]+	144.08932	126.7
[M]-	144.09042	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe