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]+ 209.14485 147.3
[M+Na]+ 231.12679 153.8
[M-H]- 207.13029 150.5
[M+NH4]+ 226.17139 164.5
[M+K]+ 247.10073 149.9
[M+H-H2O]+ 191.13483 138.7
[M+HCOO]- 253.13577 166.0
[M+CH3COO]- 267.15142 189.9
[M+Na-2H]- 229.11224 150.0
[M]+ 208.13702 140.2
[M]- 208.13812 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.