CID 121599159

3-(bromomethyl)-3-(methoxymethyl)oxolane

Structural Information

Molecular Formula
C7H13BrO2
SMILES
COCC1(CCOC1)CBr
InChI
InChI=1S/C7H13BrO2/c1-9-5-7(4-8)2-3-10-6-7/h2-6H2,1H3
InChIKey
UTXRJJDMZJYUBW-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-3-(methoxymethyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.00989 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01717 139.4
[M+Na]+ 230.99911 149.9
[M-H]- 207.00261 145.9
[M+NH4]+ 226.04371 164.1
[M+K]+ 246.97305 141.9
[M+H-H2O]+ 191.00715 141.1
[M+HCOO]- 253.00809 159.6
[M+CH3COO]- 267.02374 180.4
[M+Na-2H]- 228.98456 147.4
[M]+ 208.00934 158.8
[M]- 208.01044 158.8
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.