CID 98699

9-acetoxyjulolidine

Structural Information

Molecular Formula
C14H17NO2
SMILES
CC(=O)OC1=CC2=C3C(=C1)CCCN3CCC2
InChI
InChI=1S/C14H17NO2/c1-10(16)17-13-8-11-4-2-6-15-7-3-5-12(9-13)14(11)15/h8-9H,2-7H2,1H3
InChIKey
GPVVHKXOTQDZOK-UHFFFAOYSA-N
Compound name
1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.12593 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13321 151.8
[M+Na]+ 254.11515 157.3
[M-H]- 230.11865 153.9
[M+NH4]+ 249.15975 170.4
[M+K]+ 270.08909 154.4
[M+H-H2O]+ 214.12319 144.1
[M+HCOO]- 276.12413 166.8
[M+CH3COO]- 290.13978 162.7
[M+Na-2H]- 252.10060 157.4
[M]+ 231.12538 149.6
[M]- 231.12648 149.6
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.