CID 103629

52378-03-7

Structural Information

Molecular Formula
C19H21NO2
SMILES
CNCC1COC2(O1)C3=CC=CC=C3CCC4=CC=CC=C24
InChI
InChI=1S/C19H21NO2/c1-20-12-16-13-21-19(22-16)17-8-4-2-6-14(17)10-11-15-7-3-5-9-18(15)19/h2-9,16,20H,10-13H2,1H3
InChIKey
UTGOFPKDKSCNFW-UHFFFAOYSA-N
Compound name
N-methyl-1-spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-4-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.15723 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.164506 167.8
[M+Na]+ 318.146448 174.0
[M-H]- 294.149954 177.3
[M+NH4]+ 313.191053 185.2
[M+K]+ 334.120388 173.6
[M+H-H2O]+ 278.154490 162.1
[M+HCOO]- 340.155431 185.5
[M+CH3COO]- 354.171081 179.0
[M+Na-2H]- 316.131896 174.5
[M]+ 295.15668142 164.7
[M]- 295.15777858 164.7
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.