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]+ 246.14887 155.7
[M+Na]+ 268.13081 162.1
[M-H]- 244.13431 157.4
[M+NH4]+ 263.17541 174.5
[M+K]+ 284.10475 158.8
[M+H-H2O]+ 228.13885 148.4
[M+HCOO]- 290.13979 170.0
[M+CH3COO]- 304.15544 196.7
[M+Na-2H]- 266.11626 160.7
[M]+ 245.14104 154.4
[M]- 245.14214 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.