CID 121651

30182-64-0

Structural Information

Molecular Formula
C16H21NO2
SMILES
CCC(=O)OC12CCN(C(C1)CC3=CC=CC=C23)C
InChI
InChI=1S/C16H21NO2/c1-3-15(18)19-16-8-9-17(2)13(11-16)10-12-6-4-5-7-14(12)16/h4-7,13H,3,8-11H2,1-2H3
InChIKey
PRVAATKVYIJTCL-UHFFFAOYSA-N
Compound name
(10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.15723 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16451 162.3
[M+Na]+ 282.14645 174.5
[M+NH4]+ 277.19105 173.0
[M+K]+ 298.12039 164.8
[M-H]- 258.14995 164.0
[M+Na-2H]- 280.13190 166.7
[M]+ 259.15668 164.6
[M]- 259.15778 164.6
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.