CID 3052016

4-[2-[2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethoxy]ethyl]morpholine

Structural Information

Molecular Formula
C17H31NO2
SMILES
CC1(C2CCC(C1C2)CCOCCN3CCOCC3)C
InChI
InChI=1S/C17H31NO2/c1-17(2)15-4-3-14(16(17)13-15)5-9-19-10-6-18-7-11-20-12-8-18/h14-16H,3-13H2,1-2H3
InChIKey
FPLHEALBGYMFJM-UHFFFAOYSA-N
Compound name
4-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.23547 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.24275 173.3
[M+Na]+ 304.22469 174.3
[M-H]- 280.22819 172.7
[M+NH4]+ 299.26929 186.1
[M+K]+ 320.19863 175.9
[M+H-H2O]+ 264.23273 161.4
[M+HCOO]- 326.23367 179.7
[M+CH3COO]- 340.24932 208.1
[M+Na-2H]- 302.21014 179.2
[M]+ 281.23492 183.2
[M]- 281.23602 183.2
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.