CID 14162338

2-(2-bromoethyl)-2-(propan-2-yl)-1,3-dioxolane

Structural Information

Molecular Formula
C8H15BrO2
SMILES
CC(C)C1(OCCO1)CCBr
InChI
InChI=1S/C8H15BrO2/c1-7(2)8(3-4-9)10-5-6-11-8/h7H,3-6H2,1-2H3
InChIKey
ICNQIGQZNGKYRP-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)-2-propan-2-yl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.02554 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.032816 145.6
[M+Na]+ 245.014758 155.3
[M-H]- 221.018264 152.4
[M+NH4]+ 240.059363 168.4
[M+K]+ 260.988698 148.4
[M+H-H2O]+ 205.022800 147.2
[M+HCOO]- 267.023741 163.5
[M+CH3COO]- 281.039391 184.1
[M+Na-2H]- 243.000206 152.6
[M]+ 222.02499142 165.2
[M]- 222.02608858 165.2
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.