CID 113924

3-(1-bromo-2-methylallyloxy)-1,2-bropanediol

Structural Information

Molecular Formula
C7H13BrO3
SMILES
CC(=C)C(OCC(CO)O)Br
InChI
InChI=1S/C7H13BrO3/c1-5(2)7(8)11-4-6(10)3-9/h6-7,9-10H,1,3-4H2,2H3
InChIKey
PAQSTZTUDSARQK-UHFFFAOYSA-N
Compound name
3-(1-bromo-2-methylprop-2-enoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.0048 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.01208 144.5
[M+Na]+ 246.99402 153.3
[M-H]- 222.99752 144.6
[M+NH4]+ 242.03862 164.6
[M+K]+ 262.96796 143.0
[M+H-H2O]+ 207.00206 144.8
[M+HCOO]- 269.00300 160.5
[M+CH3COO]- 283.01865 183.1
[M+Na-2H]- 244.97947 147.1
[M]+ 224.00425 162.2
[M]- 224.00535 162.2
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.