CID 208676

Cb 853

Structural Information

Molecular Formula
C17H24ClNO2
SMILES
CC(C)C1=C(C=C(C=C1)CCCC(=O)N2CCOCC2)Cl
InChI
InChI=1S/C17H24ClNO2/c1-13(2)15-7-6-14(12-16(15)18)4-3-5-17(20)19-8-10-21-11-9-19/h6-7,12-13H,3-5,8-11H2,1-2H3
InChIKey
YGSKXAVBYZRRNH-UHFFFAOYSA-N
Compound name
4-(3-chloro-4-propan-2-ylphenyl)-1-morpholin-4-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.14957 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15685 174.6
[M+Na]+ 332.13879 179.3
[M-H]- 308.14229 179.1
[M+NH4]+ 327.18339 187.3
[M+K]+ 348.11273 175.8
[M+H-H2O]+ 292.14683 166.6
[M+HCOO]- 354.14777 185.4
[M+CH3COO]- 368.16342 205.0
[M+Na-2H]- 330.12424 174.5
[M]+ 309.14902 175.3
[M]- 309.15012 175.3
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.