CID 55379

1-(4-cyclopentylphenyl)-2-(diethylamino)ethanone (z)-2-butenedioate

Structural Information

Molecular Formula
C17H25NO
SMILES
CCN(CC)CC(=O)C1=CC=C(C=C1)C2CCCC2
InChI
InChI=1S/C17H25NO/c1-3-18(4-2)13-17(19)16-11-9-15(10-12-16)14-7-5-6-8-14/h9-12,14H,3-8,13H2,1-2H3
InChIKey
NYNFYNKUEFSJNH-UHFFFAOYSA-N
Compound name
1-(4-cyclopentylphenyl)-2-(diethylamino)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1936 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.20088 165.4
[M+Na]+ 282.18282 168.7
[M-H]- 258.18632 172.3
[M+NH4]+ 277.22742 183.9
[M+K]+ 298.15676 166.3
[M+H-H2O]+ 242.19086 157.6
[M+HCOO]- 304.19180 187.5
[M+CH3COO]- 318.20745 203.1
[M+Na-2H]- 280.16827 164.9
[M]+ 259.19305 164.4
[M]- 259.19415 164.4
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