CID 169492

Einecs 251-380-1

Structural Information

Molecular Formula
C18H23NO3
SMILES
CC1=C(C=CC2=C1C3(CCC=CC3)C(O2)N4CCOCC4)O
InChI
InChI=1S/C18H23NO3/c1-13-14(20)5-6-15-16(13)18(7-3-2-4-8-18)17(22-15)19-9-11-21-12-10-19/h2-3,5-6,17,20H,4,7-12H2,1H3
InChIKey
JBKVSDNTNRCTHF-UHFFFAOYSA-N
Compound name
4-methyl-2-morpholin-4-ylspiro[2H-1-benzofuran-3,4'-cyclohexene]-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1678 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 171.0
[M+Na]+ 324.15702 176.6
[M-H]- 300.16052 178.4
[M+NH4]+ 319.20162 186.2
[M+K]+ 340.13096 174.3
[M+H-H2O]+ 284.16506 162.9
[M+HCOO]- 346.16600 183.1
[M+CH3COO]- 360.18165 181.0
[M+Na-2H]- 322.14247 173.5
[M]+ 301.16725 166.2
[M]- 301.16835 166.2
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.