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]+ 338.159806 173.0
[M+Na]+ 360.141748 180.3
[M-H]- 336.145254 173.3
[M+NH4]+ 355.186353 192.2
[M+K]+ 376.115688 179.3
[M+H-H2O]+ 320.149790 170.1
[M+HCOO]- 382.150731 185.9
[M+CH3COO]- 396.166381 210.9
[M+Na-2H]- 358.127196 172.3
[M]+ 337.15198142 177.4
[M]- 337.15307858 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.