CID 66026191

{1-[(4-fluorophenyl)methyl]cyclopropyl}methanamine

Structural Information

Molecular Formula
C11H14FN
SMILES
C1CC1(CC2=CC=C(C=C2)F)CN
InChI
InChI=1S/C11H14FN/c12-10-3-1-9(2-4-10)7-11(8-13)5-6-11/h1-4H,5-8,13H2
InChIKey
BMDRIRSWAMBAME-UHFFFAOYSA-N
Compound name
[1-[(4-fluorophenyl)methyl]cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.11102 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.118296 133.9
[M+Na]+ 202.100238 143.2
[M-H]- 178.103744 140.0
[M+NH4]+ 197.144843 150.7
[M+K]+ 218.074178 140.2
[M+H-H2O]+ 162.108280 127.3
[M+HCOO]- 224.109221 157.5
[M+CH3COO]- 238.124871 186.6
[M+Na-2H]- 200.085686 140.9
[M]+ 179.11047142 133.7
[M]- 179.11156858 133.7
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

No patent data available for this compound.