CID 53698517

Methyln-(2-aminopropyl)carbamatehydrochloride

Structural Information

Molecular Formula

C₅H₁₂N₂O₂

SMILES

CC(CNC(=O)OC)N

InChI

InChI=1S/C5H12N2O2/c1-4(6)3-7-5(8)9-2/h4H,3,6H2,1-2H3,(H,7,8)

InChIKey

XSPVEQGCOZYESZ-UHFFFAOYSA-N

Compound name

methyl N-(2-aminopropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	128.1
[M+Na]+	155.07909	135.4
[M+NH4]+	150.12369	134.8
[M+K]+	171.05303	132.3
[M-H]-	131.08259	127.3
[M+Na-2H]-	153.06454	130.5
[M]+	132.08932	128.4
[M]-	132.09042	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe