CID 165982791

En300-37354083

Structural Information

Molecular Formula
C13H18O3
SMILES
CC(C)(C)OC(=O)C12CC3CCC1C2C3=O
InChI
InChI=1S/C13H18O3/c1-12(2,3)16-11(15)13-6-7-4-5-8(13)9(13)10(7)14/h7-9H,4-6H2,1-3H3
InChIKey
KVNZYUVJXXPBGE-UHFFFAOYSA-N
Compound name
tert-butyl 6-oxotricyclo[3.2.1.02,7]octane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.1256 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.132876 156.7
[M+Na]+ 245.114818 164.6
[M-H]- 221.118324 156.8
[M+NH4]+ 240.159423 178.4
[M+K]+ 261.088758 161.0
[M+H-H2O]+ 205.122860 153.4
[M+HCOO]- 267.123801 166.6
[M+CH3COO]- 281.139451 197.0
[M+Na-2H]- 243.100266 164.7
[M]+ 222.12505142 165.0
[M]- 222.12614858 165.0
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

No patent data available for this compound.