CID 13433456

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

Structural Information

Molecular Formula
C7H13IO2
SMILES
CC1(OCC(O1)CCI)C
InChI
InChI=1S/C7H13IO2/c1-7(2)9-5-6(10-7)3-4-8/h6H,3-5H2,1-2H3
InChIKey
BABASTDSXZONTL-UHFFFAOYSA-N
Compound name
4-(2-iodoethyl)-2,2-dimethyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

255.99603 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.00331 140.5
[M+Na]+ 278.98525 141.2
[M-H]- 254.98875 138.3
[M+NH4]+ 274.02985 158.0
[M+K]+ 294.95919 148.6
[M+H-H2O]+ 238.99329 133.2
[M+HCOO]- 300.99423 156.7
[M+CH3COO]- 315.00988 182.7
[M+Na-2H]- 276.97070 135.2
[M]+ 255.99548 139.6
[M]- 255.99658 139.6
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