CID 25094648

1062587-62-5

Structural Information

Molecular Formula

C₁₀H₁₄FN

SMILES

CC1=C(C=C(C=C1)CC(C)N)F

InChI

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

InChIKey

IXXIMMDKERISNO-UHFFFAOYSA-N

Compound name

1-(3-fluoro-4-methylphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 167.11102 Da
Monoisotopic Mass: 2.1
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	135.5
[M+Na]+	190.10024	143.3
[M-H]-	166.10374	137.7
[M+NH4]+	185.14484	156.0
[M+K]+	206.07418	140.8
[M+H-H2O]+	150.10828	129.1
[M+HCOO]-	212.10922	158.1
[M+CH3COO]-	226.12487	184.3
[M+Na-2H]-	188.08569	139.1
[M]+	167.11047	133.0
[M]-	167.11157	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe