CID 113923

63834-56-0

Structural Information

Molecular Formula
C6H11BrO3
SMILES
C=CC(OCC(CO)O)Br
InChI
InChI=1S/C6H11BrO3/c1-2-6(7)10-4-5(9)3-8/h2,5-6,8-9H,1,3-4H2
InChIKey
WHTRVMDSXBPLMD-UHFFFAOYSA-N
Compound name
3-(1-bromoprop-2-enoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.98917 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.99645 139.5
[M+Na]+ 232.97839 148.8
[M-H]- 208.98189 139.6
[M+NH4]+ 228.02299 160.2
[M+K]+ 248.95233 138.4
[M+H-H2O]+ 192.98643 139.9
[M+HCOO]- 254.98737 156.6
[M+CH3COO]- 269.00302 179.4
[M+Na-2H]- 230.96384 143.8
[M]+ 209.98862 157.4
[M]- 209.98972 157.4
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.