CID 146155336

1-(iodomethyl)-2-oxabicyclo[3.1.1]heptane

Structural Information

Molecular Formula
C7H11IO
SMILES
C1COC2(CC1C2)CI
InChI
InChI=1S/C7H11IO/c8-5-7-3-6(4-7)1-2-9-7/h6H,1-5H2
InChIKey
RSTBLETYZTVRBM-UHFFFAOYSA-N
Compound name
1-(iodomethyl)-2-oxabicyclo[3.1.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.98546 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.99274 127.2
[M+Na]+ 260.97468 126.0
[M-H]- 236.97818 120.8
[M+NH4]+ 256.01928 142.8
[M+K]+ 276.94862 134.3
[M+H-H2O]+ 220.98272 116.3
[M+HCOO]- 282.98366 136.8
[M+CH3COO]- 296.99931 135.8
[M+Na-2H]- 258.96013 129.4
[M]+ 237.98491 135.3
[M]- 237.98601 135.3
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.