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]+ 238.992736 127.2
[M+Na]+ 260.974678 126.0
[M-H]- 236.978184 120.8
[M+NH4]+ 256.019283 142.8
[M+K]+ 276.948618 134.3
[M+H-H2O]+ 220.982720 116.3
[M+HCOO]- 282.983661 136.8
[M+CH3COO]- 296.999311 135.8
[M+Na-2H]- 258.960126 129.4
[M]+ 237.98491142 135.3
[M]- 237.98600858 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.