CID 417669

17400-34-9

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

C1=CC=C(C=C1)COC(=O)NCCCN

InChI

InChI=1S/C11H16N2O2/c12-7-4-8-13-11(14)15-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,12H2,(H,13,14)

InChIKey

JXWABCYGGVHAHB-UHFFFAOYSA-N

Compound name

benzyl N-(3-aminopropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 697
Patents: 208.12119 Da
Monoisotopic Mass: 0.9
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]+	209.12847	147.8
[M+Na]+	231.11041	157.3
[M+NH4]+	226.15501	155.0
[M+K]+	247.08435	151.5
[M-H]-	207.11391	149.9
[M+Na-2H]-	229.09586	153.5
[M]+	208.12064	149.4
[M]-	208.12174	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe