CID 54594111

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

Structural Information

Molecular Formula
C12H17FN2
SMILES
CC1=C(C=CC(=C1)F)N2CCCC(C2)N
InChI
InChI=1S/C12H17FN2/c1-9-7-10(13)4-5-12(9)15-6-2-3-11(14)8-15/h4-5,7,11H,2-3,6,8,14H2,1H3
InChIKey
UTLDLISFEIXNHH-UHFFFAOYSA-N
Compound name
1-(4-fluoro-2-methylphenyl)piperidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.13757 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.144846 147.3
[M+Na]+ 231.126788 153.8
[M-H]- 207.130294 150.5
[M+NH4]+ 226.171393 164.5
[M+K]+ 247.100728 149.9
[M+H-H2O]+ 191.134830 138.7
[M+HCOO]- 253.135771 166.0
[M+CH3COO]- 267.151421 189.9
[M+Na-2H]- 229.112236 150.0
[M]+ 208.13702142 140.2
[M]- 208.13811858 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

No patent data available for this compound.