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

9
Patents

179.11102 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.118296 135.2
[M+Na]+ 202.100238 140.4
[M-H]- 178.103744 140.2
[M+NH4]+ 197.144843 148.5
[M+K]+ 218.074178 140.7
[M+H-H2O]+ 162.108280 122.6
[M+HCOO]- 224.109221 157.3
[M+CH3COO]- 238.124871 187.4
[M+Na-2H]- 200.085686 141.1
[M]+ 179.11047142 140.2
[M]- 179.11156858 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe