CID 72207872

3-(bromomethyl)-1,1-dimethoxycyclobutane

Structural Information

Molecular Formula
C7H13BrO2
SMILES
COC1(CC(C1)CBr)OC
InChI
InChI=1S/C7H13BrO2/c1-9-7(10-2)3-6(4-7)5-8/h6H,3-5H2,1-2H3
InChIKey
XIPCGMXQXXCDKP-UHFFFAOYSA-N
Compound name
3-(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]+ 209.017166 127.6
[M+Na]+ 230.999108 137.8
[M-H]- 207.002614 134.1
[M+NH4]+ 226.043713 146.2
[M+K]+ 246.973048 131.9
[M+H-H2O]+ 191.007150 125.2
[M+HCOO]- 253.008091 147.8
[M+CH3COO]- 267.023741 186.6
[M+Na-2H]- 228.984556 136.2
[M]+ 208.00934142 156.0
[M]- 208.01043858 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.