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]+ 218.15395 148.3
[M+Na]+ 240.13589 149.9
[M-H]- 216.13939 151.8
[M+NH4]+ 235.18049 162.8
[M+K]+ 256.10983 150.6
[M+H-H2O]+ 200.14393 141.2
[M+HCOO]- 262.14487 164.5
[M+CH3COO]- 276.16052 186.7
[M+Na-2H]- 238.12134 151.5
[M]+ 217.14612 139.1
[M]- 217.14722 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.