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]+ 209.01717 137.2
[M+Na]+ 230.99911 146.5
[M-H]- 207.00261 143.5
[M+NH4]+ 226.04371 160.1
[M+K]+ 246.97305 138.8
[M+H-H2O]+ 191.00715 138.5
[M+HCOO]- 253.00809 155.3
[M+CH3COO]- 267.02374 180.7
[M+Na-2H]- 228.98456 146.5
[M]+ 208.00934 154.7
[M]- 208.01044 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.