CID 2794280

210767-37-6

Structural Information

Molecular Formula

C₁₈H₂₀N₂O₂

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCN

InChI

InChI=1S/C18H20N2O2/c19-10-5-11-20-18(21)22-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12,19H2,(H,20,21)

InChIKey

LRAMQBKQEYONOM-UHFFFAOYSA-N

Compound name

9H-fluoren-9-ylmethyl N-(3-aminopropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 628
Patents: 296.15247 Da
Monoisotopic Mass: 2.5
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]+	297.15975	168.3
[M+Na]+	319.14169	174.5
[M-H]-	295.14519	172.9
[M+NH4]+	314.18629	186.7
[M+K]+	335.11563	169.8
[M+H-H2O]+	279.14973	161.1
[M+HCOO]-	341.15067	191.3
[M+CH3COO]-	355.16632	207.8
[M+Na-2H]-	317.12714	172.9
[M]+	296.15192	169.4
[M]-	296.15302	169.4

Literature stripe

literature stripe

Patent stripe

patents stripe