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]+ 260.164506 161.3
[M+Na]+ 282.146448 167.3
[M-H]- 258.149954 162.7
[M+NH4]+ 277.191053 181.2
[M+K]+ 298.120388 163.9
[M+H-H2O]+ 242.154490 153.7
[M+HCOO]- 304.155431 175.2
[M+CH3COO]- 318.171081 198.0
[M+Na-2H]- 280.131896 167.2
[M]+ 259.15668142 160.1
[M]- 259.15777858 160.1
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.