CID 14753827

2-(azepan-2-yl)-1-phenylethan-1-one hydrochloride

Structural Information

Molecular Formula
C14H19NO
SMILES
C1CCC(NCC1)CC(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H19NO/c16-14(12-7-3-1-4-8-12)11-13-9-5-2-6-10-15-13/h1,3-4,7-8,13,15H,2,5-6,9-11H2
InChIKey
HDXWDSBVMJKQNQ-UHFFFAOYSA-N
Compound name
2-(azepan-2-yl)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.14667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.153946 148.3
[M+Na]+ 240.135888 149.9
[M-H]- 216.139394 151.8
[M+NH4]+ 235.180493 162.8
[M+K]+ 256.109828 150.6
[M+H-H2O]+ 200.143930 141.2
[M+HCOO]- 262.144871 164.5
[M+CH3COO]- 276.160521 186.7
[M+Na-2H]- 238.121336 151.5
[M]+ 217.14612142 139.1
[M]- 217.14721858 139.1
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.