CID 13769948

Methyl 5-bromo-2-hydroxypentanoate

Structural Information

Molecular Formula
C6H11BrO3
SMILES
COC(=O)C(CCCBr)O
InChI
InChI=1S/C6H11BrO3/c1-10-6(9)5(8)3-2-4-7/h5,8H,2-4H2,1H3
InChIKey
XRUBEGXHALZNCE-UHFFFAOYSA-N
Compound name
methyl 5-bromo-2-hydroxypentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

209.98917 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.99645 138.5
[M+Na]+ 232.97839 148.4
[M-H]- 208.98189 140.2
[M+NH4]+ 228.02299 160.1
[M+K]+ 248.95233 138.9
[M+H-H2O]+ 192.98643 138.9
[M+HCOO]- 254.98737 157.2
[M+CH3COO]- 269.00302 181.2
[M+Na-2H]- 230.96384 143.5
[M]+ 209.98862 158.2
[M]- 209.98972 158.2
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

patents stripe