CID 214706

Brn 2468023

Structural Information

Molecular Formula
C18H31NO2
SMILES
CCC(C1=CCC(CC1)CC(C)C)C(=O)N2CCOCC2
InChI
InChI=1S/C18H31NO2/c1-4-17(18(20)19-9-11-21-12-10-19)16-7-5-15(6-8-16)13-14(2)3/h7,14-15,17H,4-6,8-13H2,1-3H3
InChIKey
PBVKVKFDZFICDP-UHFFFAOYSA-N
Compound name
2-[4-(2-methylpropyl)cyclohexen-1-yl]-1-morpholin-4-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.23547 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.24275 175.3
[M+Na]+ 316.22469 184.4
[M+NH4]+ 311.26929 182.3
[M+K]+ 332.19863 178.8
[M-H]- 292.22819 178.9
[M+Na-2H]- 314.21014 178.2
[M]+ 293.23492 177.4
[M]- 293.23602 177.4
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

No patent data available for this compound.