CID 343883

5-phenylazepan-2-one

Structural Information

Molecular Formula
C12H15NO
SMILES
C1CC(=O)NCCC1C2=CC=CC=C2
InChI
InChI=1S/C12H15NO/c14-12-7-6-11(8-9-13-12)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14)
InChIKey
STAHPHVAVALBIH-UHFFFAOYSA-N
Compound name
5-phenylazepan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

189.11537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 142.7
[M+Na]+ 212.10459 153.2
[M+NH4]+ 207.14919 150.5
[M+K]+ 228.07853 147.8
[M-H]- 188.10809 145.6
[M+Na-2H]- 210.09004 149.9
[M]+ 189.11482 144.9
[M]- 189.11592 144.9
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

patents stripe