CID 16773623

926228-63-9

Structural Information

Molecular Formula

C₁₄H₁₅N

SMILES

C1CC1NCC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C14H15N/c1-2-4-13-9-11(5-6-12(13)3-1)10-15-14-7-8-14/h1-6,9,14-15H,7-8,10H2

InChIKey

KLEUEPQGQDNMNK-UHFFFAOYSA-N

Compound name

N-(naphthalen-2-ylmethyl)cyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 197.12045 Da
Monoisotopic Mass: 3.0
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]+	198.12773	139.5
[M+Na]+	220.10967	148.3
[M-H]-	196.11317	147.6
[M+NH4]+	215.15427	154.8
[M+K]+	236.08361	143.9
[M+H-H2O]+	180.11771	132.5
[M+HCOO]-	242.11865	164.0
[M+CH3COO]-	256.13430	152.6
[M+Na-2H]-	218.09512	148.6
[M]+	197.11990	140.7
[M]-	197.12100	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe