CID 3052020

4-(2-(2-(6,6-dimethyl-2-norpinen-2-yl)ethoxy)ethyl)morpholine maleate

Structural Information

Molecular Formula
C17H29NO2
SMILES
CC1(C2CC=C(C1C2)CCOCCN3CCOCC3)C
InChI
InChI=1S/C17H29NO2/c1-17(2)15-4-3-14(16(17)13-15)5-9-19-10-6-18-7-11-20-12-8-18/h3,15-16H,4-13H2,1-2H3
InChIKey
HTGHTZQJMLRTKH-UHFFFAOYSA-N
Compound name
4-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.21982 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.22710 172.6
[M+Na]+ 302.20904 174.6
[M-H]- 278.21254 172.4
[M+NH4]+ 297.25364 185.5
[M+K]+ 318.18298 176.0
[M+H-H2O]+ 262.21708 160.5
[M+HCOO]- 324.21802 180.4
[M+CH3COO]- 338.23367 207.7
[M+Na-2H]- 300.19449 179.4
[M]+ 279.21927 183.8
[M]- 279.22037 183.8
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.