CID 155859092

2-(bromomethyl)-1,1-dimethoxycyclobutane

Structural Information

Molecular Formula
C7H13BrO2
SMILES
COC1(CCC1CBr)OC
InChI
InChI=1S/C7H13BrO2/c1-9-7(10-2)4-3-6(7)5-8/h6H,3-5H2,1-2H3
InChIKey
GGIVEWFLPIQEHL-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1,1-dimethoxycyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.00989 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01717 127.6
[M+Na]+ 230.99911 137.8
[M-H]- 207.00261 134.1
[M+NH4]+ 226.04371 146.2
[M+K]+ 246.97305 131.9
[M+H-H2O]+ 191.00715 125.2
[M+HCOO]- 253.00809 147.8
[M+CH3COO]- 267.02374 186.6
[M+Na-2H]- 228.98456 136.2
[M]+ 208.00934 156.0
[M]- 208.01044 156.0
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.