CID 2783677

18807-73-3

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂

SMILES

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

InChI

InChI=1S/C12H18N2O2/c13-8-4-5-9-14-12(15)16-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2,(H,14,15)

InChIKey

IZGKHHFFYLRBPL-UHFFFAOYSA-N

Compound name

benzyl N-(4-aminobutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 312
Patents: 222.13683 Da
Monoisotopic Mass: 1.2
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]+	223.14411	152.3
[M+Na]+	245.12605	161.5
[M+NH4]+	240.17065	159.3
[M+K]+	261.09999	155.5
[M-H]-	221.12955	154.4
[M+Na-2H]-	243.11150	157.7
[M]+	222.13628	153.8
[M]-	222.13738	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe