CID 165947235

Tert-butyl 2-oxabicyclo[2.1.1]hexane-1-carboxylate

Structural Information

Molecular Formula
C10H16O3
SMILES
CC(C)(C)OC(=O)C12CC(C1)CO2
InChI
InChI=1S/C10H16O3/c1-9(2,3)13-8(11)10-4-7(5-10)6-12-10/h7H,4-6H2,1-3H3
InChIKey
HYGDXZHXIAJKHB-UHFFFAOYSA-N
Compound name
tert-butyl 2-oxabicyclo[2.1.1]hexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10994 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 147.7
[M+Na]+ 207.09916 153.1
[M-H]- 183.10266 149.5
[M+NH4]+ 202.14376 168.9
[M+K]+ 223.07310 156.4
[M+H-H2O]+ 167.10720 142.5
[M+HCOO]- 229.10814 162.9
[M+CH3COO]- 243.12379 185.7
[M+Na-2H]- 205.08461 155.8
[M]+ 184.10939 162.9
[M]- 184.11049 162.9
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.