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 153.6
[M+Na]+ 260.12571 159.6
[M+NH4]+ 255.17031 161.2
[M+K]+ 276.09965 161.7
[M-H]- 236.12921 150.9
[M+Na-2H]- 258.11116 150.7
[M]+ 237.13594 153.3
[M]- 237.13704 153.3
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.