CID 24209061

1-(4-(cyclooctylamino)-2-methylphenyl)ethanone

Structural Information

Molecular Formula
C17H25NO
SMILES
CC1=C(C=CC(=C1)NC2CCCCCCC2)C(=O)C
InChI
InChI=1S/C17H25NO/c1-13-12-16(10-11-17(13)14(2)19)18-15-8-6-4-3-5-7-9-15/h10-12,15,18H,3-9H2,1-2H3
InChIKey
LZCAPEIPMISOCR-UHFFFAOYSA-N
Compound name
1-[4-(cyclooctylamino)-2-methylphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1936 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.200876 158.9
[M+Na]+ 282.182818 162.2
[M-H]- 258.186324 161.7
[M+NH4]+ 277.227423 166.4
[M+K]+ 298.156758 161.7
[M+H-H2O]+ 242.190860 154.6
[M+HCOO]- 304.191801 167.5
[M+CH3COO]- 318.207451 229.8
[M+Na-2H]- 280.168266 157.6
[M]+ 259.19305142 156.6
[M]- 259.19414858 156.6
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.