CID 13625990

4-(bromomethyl)-4-methoxyoxane

Structural Information

Molecular Formula
C7H13BrO2
SMILES
COC1(CCOCC1)CBr
InChI
InChI=1S/C7H13BrO2/c1-9-7(6-8)2-4-10-5-3-7/h2-6H2,1H3
InChIKey
MCAMKERLPFRVAW-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-4-methoxyoxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.00989 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.017166 137.2
[M+Na]+ 230.999108 146.5
[M-H]- 207.002614 143.5
[M+NH4]+ 226.043713 160.1
[M+K]+ 246.973048 138.8
[M+H-H2O]+ 191.007150 138.5
[M+HCOO]- 253.008091 155.3
[M+CH3COO]- 267.023741 180.7
[M+Na-2H]- 228.984556 146.5
[M]+ 208.00934142 154.7
[M]- 208.01043858 154.7
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.