CID 18404370

2287315-14-2

Structural Information

Molecular Formula

C₅H₁₂N₂O₂

SMILES

CNC(=O)OCCCN

InChI

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

InChIKey

XKUMCFGZZXUKLA-UHFFFAOYSA-N

Compound name

3-aminopropyl N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 132.08987 Da
Monoisotopic Mass: -0.5
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]+	133.097146	127.9
[M+Na]+	155.079088	133.9
[M-H]-	131.082594	127.8
[M+NH4]+	150.123693	149.0
[M+K]+	171.053028	134.3
[M+H-H2O]+	115.087130	122.5
[M+HCOO]-	177.088071	153.1
[M+CH3COO]-	191.103721	175.7
[M+Na-2H]-	153.064536	133.5
[M]+	132.08932142	127.4
[M]-	132.09041858	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe