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]+ 209.017166 139.4
[M+Na]+ 230.999108 149.9
[M-H]- 207.002614 145.9
[M+NH4]+ 226.043713 164.1
[M+K]+ 246.973048 141.9
[M+H-H2O]+ 191.007150 141.1
[M+HCOO]- 253.008091 159.6
[M+CH3COO]- 267.023741 180.4
[M+Na-2H]- 228.984556 147.4
[M]+ 208.00934142 158.8
[M]- 208.01043858 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.