CID 3024470

4'-cyclohexyl-2-methyl-3-pyrrolidinopropiophenone hydrochloride

Structural Information

Molecular Formula
C20H29NO
SMILES
CC(CN1CCCC1)C(=O)C2=CC=C(C=C2)C3CCCCC3
InChI
InChI=1S/C20H29NO/c1-16(15-21-13-5-6-14-21)20(22)19-11-9-18(10-12-19)17-7-3-2-4-8-17/h9-12,16-17H,2-8,13-15H2,1H3
InChIKey
JMCZHLNVCMAQSO-UHFFFAOYSA-N
Compound name
1-(4-cyclohexylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

299.2249 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.23218 176.6
[M+Na]+ 322.21412 177.1
[M-H]- 298.21762 182.6
[M+NH4]+ 317.25872 190.8
[M+K]+ 338.18806 173.1
[M+H-H2O]+ 282.22216 167.2
[M+HCOO]- 344.22310 190.9
[M+CH3COO]- 358.23875 204.1
[M+Na-2H]- 320.19957 172.8
[M]+ 299.22435 169.0
[M]- 299.22545 169.0
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