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]+ 296.16451 167.8
[M+Na]+ 318.14645 174.0
[M-H]- 294.14995 177.3
[M+NH4]+ 313.19105 185.2
[M+K]+ 334.12039 173.6
[M+H-H2O]+ 278.15449 162.1
[M+HCOO]- 340.15543 185.5
[M+CH3COO]- 354.17108 179.0
[M+Na-2H]- 316.13190 174.5
[M]+ 295.15668 164.7
[M]- 295.15778 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.