CID 137951491

1-(iodomethyl)-4-methyl-2-oxabicyclo[2.1.1]hexane

Structural Information

Molecular Formula
C7H11IO
SMILES
CC12CC(C1)(OC2)CI
InChI
InChI=1S/C7H11IO/c1-6-2-7(3-6,4-8)9-5-6/h2-5H2,1H3
InChIKey
YCGMSWJZCFNPJZ-UHFFFAOYSA-N
Compound name
1-(iodomethyl)-4-methyl-2-oxabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.98546 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.99274 128.8
[M+Na]+ 260.97468 130.0
[M-H]- 236.97818 124.9
[M+NH4]+ 256.01928 149.2
[M+K]+ 276.94862 137.0
[M+H-H2O]+ 220.98272 120.7
[M+HCOO]- 282.98366 142.7
[M+CH3COO]- 296.99931 185.4
[M+Na-2H]- 258.96013 128.3
[M]+ 237.98491 139.5
[M]- 237.98601 139.5
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.