CID 105501545

Tert-butyl (8-oxobicyclo[3.2.1]octan-3-yl)carbamate

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)NC1CC2CCC(C1)C2=O
InChI
InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-10-6-8-4-5-9(7-10)11(8)15/h8-10H,4-7H2,1-3H3,(H,14,16)
InChIKey
HLYGBCMBJPUFGL-UHFFFAOYSA-N
Compound name
tert-butyl N-(8-oxo-3-bicyclo[3.2.1]octanyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

239.15215 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 156.3
[M+Na]+ 262.14137 161.3
[M-H]- 238.14487 158.5
[M+NH4]+ 257.18597 177.4
[M+K]+ 278.11531 159.8
[M+H-H2O]+ 222.14941 151.9
[M+HCOO]- 284.15035 173.5
[M+CH3COO]- 298.16600 194.3
[M+Na-2H]- 260.12682 159.3
[M]+ 239.15160 155.0
[M]- 239.15270 155.0
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

patents stripe