CID 11139278

4-(iodomethyl)-2,2-dimethyl-1,3-dioxolane

Structural Information

Molecular Formula
C6H11IO2
SMILES
CC1(OCC(O1)CI)C
InChI
InChI=1S/C6H11IO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4H2,1-2H3
InChIKey
BBKBPYFNBFEICG-UHFFFAOYSA-N
Compound name
4-(iodomethyl)-2,2-dimethyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

241.98038 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.987656 135.5
[M+Na]+ 264.969598 136.6
[M-H]- 240.973104 133.5
[M+NH4]+ 260.014203 153.6
[M+K]+ 280.943538 144.3
[M+H-H2O]+ 224.977640 128.4
[M+HCOO]- 286.978581 152.1
[M+CH3COO]- 300.994231 179.9
[M+Na-2H]- 262.955046 130.8
[M]+ 241.97983142 134.3
[M]- 241.98092858 134.3
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