CID 494236

73500-90-0

Structural Information

Molecular Formula
C17H23NO6
SMILES
CC1=C(C2CC(C(C2(C(=O)C)C(=O)C)(N1)C)C(=O)OC)C(=O)OC
InChI
InChI=1S/C17H23NO6/c1-8-13(15(22)24-6)11-7-12(14(21)23-5)16(4,18-8)17(11,9(2)19)10(3)20/h11-12,18H,7H2,1-6H3
InChIKey
XIHLKKDRTXPIBI-UHFFFAOYSA-N
Compound name
dimethyl 8,8-diacetyl-1,3-dimethyl-2-azabicyclo[3.2.1]oct-3-ene-4,7-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.15253 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.15981 173.0
[M+Na]+ 360.14175 180.3
[M-H]- 336.14525 173.3
[M+NH4]+ 355.18635 192.2
[M+K]+ 376.11569 179.3
[M+H-H2O]+ 320.14979 170.1
[M+HCOO]- 382.15073 185.9
[M+CH3COO]- 396.16638 210.9
[M+Na-2H]- 358.12720 172.3
[M]+ 337.15198 177.4
[M]- 337.15308 177.4
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.