CID 211424

23109-39-9

Structural Information

Molecular Formula
C15H19NO2
SMILES
CC(=O)OC1=CC2=C(CC3CC2CCN3C)C=C1
InChI
InChI=1S/C15H19NO2/c1-10(17)18-14-4-3-11-7-13-8-12(15(11)9-14)5-6-16(13)2/h3-4,9,12-13H,5-8H2,1-2H3
InChIKey
AVBOASAOJVZRAI-UHFFFAOYSA-N
Compound name
(10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.14159 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.148866 155.7
[M+Na]+ 268.130808 162.1
[M-H]- 244.134314 157.4
[M+NH4]+ 263.175413 174.5
[M+K]+ 284.104748 158.8
[M+H-H2O]+ 228.138850 148.4
[M+HCOO]- 290.139791 170.0
[M+CH3COO]- 304.155441 196.7
[M+Na-2H]- 266.116256 160.7
[M]+ 245.14104142 154.4
[M]- 245.14213858 154.4
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.