CID 597759

Norcocaine acetate

Structural Information

Molecular Formula
C18H21NO5
SMILES
CC(=O)N1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C18H21NO5/c1-11(20)19-13-8-9-14(19)16(18(22)23-2)15(10-13)24-17(21)12-6-4-3-5-7-12/h3-7,13-16H,8-10H2,1-2H3
InChIKey
OHUOYIUXXBLSTC-UHFFFAOYSA-N
Compound name
methyl 8-acetyl-3-benzoyloxy-8-azabicyclo[3.2.1]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.14197 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.149246 176.6
[M+Na]+ 354.131188 181.2
[M-H]- 330.134694 180.6
[M+NH4]+ 349.175793 192.0
[M+K]+ 370.105128 179.3
[M+H-H2O]+ 314.139230 169.4
[M+HCOO]- 376.140171 191.3
[M+CH3COO]- 390.155821 209.0
[M+Na-2H]- 352.116636 174.9
[M]+ 331.14142142 177.5
[M]- 331.14251858 177.5
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.