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]+ 238.14377 160.2
[M+Na]+ 260.12571 167.6
[M-H]- 236.12921 162.3
[M+NH4]+ 255.17031 185.1
[M+K]+ 276.09965 166.2
[M+H-H2O]+ 220.13375 157.3
[M+HCOO]- 282.13469 176.3
[M+CH3COO]- 296.15034 193.0
[M+Na-2H]- 258.11116 160.1
[M]+ 237.13594 162.7
[M]- 237.13704 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.