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]+ 260.20088 158.9
[M+Na]+ 282.18282 162.2
[M-H]- 258.18632 161.7
[M+NH4]+ 277.22742 166.4
[M+K]+ 298.15676 161.7
[M+H-H2O]+ 242.19086 154.6
[M+HCOO]- 304.19180 167.5
[M+CH3COO]- 318.20745 229.8
[M+Na-2H]- 280.16827 157.6
[M]+ 259.19305 156.6
[M]- 259.19415 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.