CID 18507922

N-[(4-fluorophenyl)methyl]cyclobutanamine

Structural Information

Molecular Formula

C₁₁H₁₄FN

SMILES

C1CC(C1)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C11H14FN/c12-10-6-4-9(5-7-10)8-13-11-2-1-3-11/h4-7,11,13H,1-3,8H2

InChIKey

JWUOYCLAZLGCTQ-UHFFFAOYSA-N

Compound name

N-[(4-fluorophenyl)methyl]cyclobutanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 179.11102 Da
Monoisotopic Mass: 2.3
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]+	180.11830	135.2
[M+Na]+	202.10024	140.4
[M-H]-	178.10374	140.2
[M+NH4]+	197.14484	148.5
[M+K]+	218.07418	140.7
[M+H-H2O]+	162.10828	122.6
[M+HCOO]-	224.10922	157.3
[M+CH3COO]-	238.12487	187.4
[M+Na-2H]-	200.08569	141.1
[M]+	179.11047	140.2
[M]-	179.11157	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe