CID 43124

59921-78-7

Structural Information

Molecular Formula
C16H22FNO
SMILES
C1CCC(CC1)NCCCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C16H22FNO/c17-14-10-8-13(9-11-14)16(19)7-4-12-18-15-5-2-1-3-6-15/h8-11,15,18H,1-7,12H2
InChIKey
UGRKMJZWVSTEAR-UHFFFAOYSA-N
Compound name
4-(cyclohexylamino)-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.16855 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.175826 162.4
[M+Na]+ 286.157768 165.1
[M-H]- 262.161274 166.1
[M+NH4]+ 281.202373 178.0
[M+K]+ 302.131708 161.2
[M+H-H2O]+ 246.165810 153.5
[M+HCOO]- 308.166751 181.1
[M+CH3COO]- 322.182401 199.8
[M+Na-2H]- 284.143216 164.2
[M]+ 263.16800142 156.5
[M]- 263.16909858 156.5
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.