CID 113178

2-bromo-1,1,3,3-tetramethoxypropane

Structural Information

Molecular Formula
C7H15BrO4
SMILES
COC(C(C(OC)OC)Br)OC
InChI
InChI=1S/C7H15BrO4/c1-9-6(10-2)5(8)7(11-3)12-4/h5-7H,1-4H3
InChIKey
TYNLQYBEUUCCGJ-UHFFFAOYSA-N
Compound name
2-bromo-1,1,3,3-tetramethoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

242.01537 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.02265 146.4
[M+Na]+ 265.00459 155.7
[M-H]- 241.00809 149.2
[M+NH4]+ 260.04919 167.3
[M+K]+ 280.97853 148.3
[M+H-H2O]+ 225.01263 146.2
[M+HCOO]- 287.01357 165.3
[M+CH3COO]- 301.02922 190.7
[M+Na-2H]- 262.99004 150.2
[M]+ 242.01482 169.8
[M]- 242.01592 169.8
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

patents stripe