CID 457579

90389-87-0

Structural Information

Molecular Formula

C₁₀H₁₄FN

SMILES

CC(C)NCC1=CC(=CC=C1)F

InChI

InChI=1S/C10H14FN/c1-8(2)12-7-9-4-3-5-10(11)6-9/h3-6,8,12H,7H2,1-2H3

InChIKey

LULJUYVORLDSFI-UHFFFAOYSA-N

Compound name

N-[(3-fluorophenyl)methyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 64
Patents: 167.11102 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]+	168.11830	136.4
[M+Na]+	190.10024	148.0
[M+NH4]+	185.14484	145.1
[M+K]+	206.07418	141.1
[M-H]-	166.10374	138.4
[M+Na-2H]-	188.08569	143.3
[M]+	167.11047	138.5
[M]-	167.11157	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe