CID 119052700

1808838-62-1

Structural Information

Molecular Formula
C13H19NO3
SMILES
CC(C)(C)OC(=O)N1CC2CC3CC2C1C3=O
InChI
InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-6-8-4-7-5-9(8)10(14)11(7)15/h7-10H,4-6H2,1-3H3
InChIKey
BSRHWVOTMNLLAN-UHFFFAOYSA-N
Compound name
tert-butyl 2-oxo-4-azatricyclo[4.2.1.03,7]nonane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.13649 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.143766 160.2
[M+Na]+ 260.125708 167.6
[M-H]- 236.129214 162.3
[M+NH4]+ 255.170313 185.1
[M+K]+ 276.099648 166.2
[M+H-H2O]+ 220.133750 157.3
[M+HCOO]- 282.134691 176.3
[M+CH3COO]- 296.150341 193.0
[M+Na-2H]- 258.111156 160.1
[M]+ 237.13594142 162.7
[M]- 237.13703858 162.7
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.