CID 208683

32808-67-6

Structural Information

Molecular Formula
C18H26ClNO2
SMILES
CC(C)(C)C1=C(C=C(C=C1)CCCC(=O)N2CCOCC2)Cl
InChI
InChI=1S/C18H26ClNO2/c1-18(2,3)15-8-7-14(13-16(15)19)5-4-6-17(21)20-9-11-22-12-10-20/h7-8,13H,4-6,9-12H2,1-3H3
InChIKey
KJOYLIOWQRXSSX-UHFFFAOYSA-N
Compound name
4-(4-tert-butyl-3-chlorophenyl)-1-morpholin-4-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1652 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17248 179.1
[M+Na]+ 346.15442 184.1
[M-H]- 322.15792 183.8
[M+NH4]+ 341.19902 191.5
[M+K]+ 362.12836 180.4
[M+H-H2O]+ 306.16246 171.4
[M+HCOO]- 368.16340 189.0
[M+CH3COO]- 382.17905 206.8
[M+Na-2H]- 344.13987 180.5
[M]+ 323.16465 180.2
[M]- 323.16575 180.2
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