CID 3033931

23035-93-0

Structural Information

Molecular Formula
C19H25NO4
SMILES
CC(=O)OC1=CC=C(C=C1)CCC(=O)OC2C[C@H]3CC[C@@H](C2)N3C
InChI
InChI=1S/C19H25NO4/c1-13(21)23-17-8-3-14(4-9-17)5-10-19(22)24-18-11-15-6-7-16(12-18)20(15)2/h3-4,8-9,15-16,18H,5-7,10-12H2,1-2H3/t15-,16+,18?
InChIKey
XOIONEZPIOPZKT-BYICEURKSA-N
Compound name
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-(4-acetyloxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.17834 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.185616 180.1
[M+Na]+ 354.167558 184.4
[M-H]- 330.171064 183.8
[M+NH4]+ 349.212163 195.7
[M+K]+ 370.141498 181.6
[M+H-H2O]+ 314.175600 172.4
[M+HCOO]- 376.176541 195.1
[M+CH3COO]- 390.192191 210.2
[M+Na-2H]- 352.153006 178.7
[M]+ 331.17779142 181.3
[M]- 331.17888858 181.3
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.