CID 12575004

3-tert-butyl-7-oxabicyclo[4.1.0]heptane

Structural Information

Molecular Formula
C10H18O
SMILES
CC(C)(C)C1CCC2C(C1)O2
InChI
InChI=1S/C10H18O/c1-10(2,3)7-4-5-8-9(6-7)11-8/h7-9H,4-6H2,1-3H3
InChIKey
BWERZOKUEPUTTM-UHFFFAOYSA-N
Compound name
3-tert-butyl-7-oxabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

154.13577 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 135.1
[M+Na]+ 177.124988 143.6
[M-H]- 153.128494 140.9
[M+NH4]+ 172.169593 151.6
[M+K]+ 193.098928 143.0
[M+H-H2O]+ 137.133030 129.7
[M+HCOO]- 199.133971 152.7
[M+CH3COO]- 213.149621 181.7
[M+Na-2H]- 175.110436 142.8
[M]+ 154.13522142 136.9
[M]- 154.13631858 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe