CID 27618

15997-79-2

Structural Information

Molecular Formula
C16H20FNO
SMILES
C1CC2(C1CNC2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H20FNO/c17-14-5-3-12(4-6-14)15(19)2-1-8-16-9-7-13(16)10-18-11-16/h3-6,13,18H,1-2,7-11H2
InChIKey
YBADXGZQIHSLKI-UHFFFAOYSA-N
Compound name
4-(3-azabicyclo[3.2.0]heptan-1-yl)-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1529 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.16018 161.7
[M+Na]+ 284.14212 166.3
[M-H]- 260.14562 164.5
[M+NH4]+ 279.18672 174.4
[M+K]+ 300.11606 164.2
[M+H-H2O]+ 244.15016 149.5
[M+HCOO]- 306.15110 177.0
[M+CH3COO]- 320.16675 196.7
[M+Na-2H]- 282.12757 163.2
[M]+ 261.15235 166.3
[M]- 261.15345 166.3
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.