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]+ 223.13288 156.7
[M+Na]+ 245.11482 164.6
[M-H]- 221.11832 156.8
[M+NH4]+ 240.15942 178.4
[M+K]+ 261.08876 161.0
[M+H-H2O]+ 205.12286 153.4
[M+HCOO]- 267.12380 166.6
[M+CH3COO]- 281.13945 197.0
[M+Na-2H]- 243.10027 164.7
[M]+ 222.12505 165.0
[M]- 222.12615 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.