CID 93605

Brn 0543491

Structural Information

Molecular Formula
C15H19FN2O
SMILES
CN1CC2CCN(C1C2)C(=O)C(C3=CC=CC=C3)F
InChI
InChI=1S/C15H19FN2O/c1-17-10-11-7-8-18(13(17)9-11)15(19)14(16)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3
InChIKey
RRFYFJJGMAQPAG-UHFFFAOYSA-N
Compound name
2-fluoro-1-(7-methyl-2,7-diazabicyclo[3.2.1]octan-2-yl)-2-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.14813 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.15541 161.9
[M+Na]+ 285.13735 167.2
[M-H]- 261.14085 163.0
[M+NH4]+ 280.18195 178.8
[M+K]+ 301.11129 163.3
[M+H-H2O]+ 245.14539 152.7
[M+HCOO]- 307.14633 175.2
[M+CH3COO]- 321.16198 171.6
[M+Na-2H]- 283.12280 162.1
[M]+ 262.14758 157.1
[M]- 262.14868 157.1
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.