CID 165994646

2-(iodomethyl)-4,4-dimethoxyoxolane

Structural Information

Molecular Formula
C7H13IO3
SMILES
COC1(CC(OC1)CI)OC
InChI
InChI=1S/C7H13IO3/c1-9-7(10-2)3-6(4-8)11-5-7/h6H,3-5H2,1-2H3
InChIKey
BXJKUYRXSRQMNG-UHFFFAOYSA-N
Compound name
2-(iodomethyl)-4,4-dimethoxyoxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.99094 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.99822 143.7
[M+Na]+ 294.98016 144.3
[M-H]- 270.98366 140.9
[M+NH4]+ 290.02476 161.7
[M+K]+ 310.95410 151.3
[M+H-H2O]+ 254.98820 136.0
[M+HCOO]- 316.98914 161.1
[M+CH3COO]- 331.00479 184.5
[M+Na-2H]- 292.96561 137.6
[M]+ 271.99039 143.7
[M]- 271.99149 143.7
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.