CID 23438980

111830-28-5

Structural Information

Molecular Formula
C4H7BrO3
SMILES
C(CO)C(C(=O)O)Br
InChI
InChI=1S/C4H7BrO3/c5-3(1-2-6)4(7)8/h3,6H,1-2H2,(H,7,8)
InChIKey
IYCFEAKZIWWCIJ-UHFFFAOYSA-N
Compound name
2-bromo-4-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

181.95786 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.965136 130.2
[M+Na]+ 204.947078 140.4
[M-H]- 180.950584 130.8
[M+NH4]+ 199.991683 152.0
[M+K]+ 220.921018 130.4
[M+H-H2O]+ 164.955120 131.0
[M+HCOO]- 226.956061 148.0
[M+CH3COO]- 240.971711 173.8
[M+Na-2H]- 202.932526 135.6
[M]+ 181.95731142 147.4
[M]- 181.95840858 147.4
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

patents stripe