CID 20780960

Methyl n-(3-aminopropyl)carbamate hydrochloride

Structural Information

Molecular Formula

C₅H₁₂N₂O₂

SMILES

COC(=O)NCCCN

InChI

InChI=1S/C5H12N2O2/c1-9-5(8)7-4-2-3-6/h2-4,6H2,1H3,(H,7,8)

InChIKey

GDYWGBIREFAREI-UHFFFAOYSA-N

Compound name

methyl N-(3-aminopropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 132.08987 Da
Monoisotopic Mass: -0.6
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]+	133.09715	127.6
[M+Na]+	155.07909	135.2
[M+NH4]+	150.12369	134.3
[M+K]+	171.05303	131.3
[M-H]-	131.08259	126.9
[M+Na-2H]-	153.06454	130.4
[M]+	132.08932	127.9
[M]-	132.09042	127.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe