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 176.2
[M+Na]+ 316.22469 176.4
[M-H]- 292.22819 179.6
[M+NH4]+ 311.26929 188.1
[M+K]+ 332.19863 175.4
[M+H-H2O]+ 276.23273 167.5
[M+HCOO]- 338.23367 187.3
[M+CH3COO]- 352.24932 204.8
[M+Na-2H]- 314.21014 173.6
[M]+ 293.23492 171.2
[M]- 293.23602 171.2
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

No patent data available for this compound.