CID 10171241

3-(dihydroxyboranyl)propanoic acid

Structural Information

Molecular Formula
C3H7BO4
SMILES
B(CCC(=O)O)(O)O
InChI
InChI=1S/C3H7BO4/c5-3(6)1-2-4(7)8/h7-8H,1-2H2,(H,5,6)
InChIKey
DDIBQZKBCUCPDW-UHFFFAOYSA-N
Compound name
3-boronopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

118.04374 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.05102 120.9
[M+Na]+ 141.03296 127.5
[M-H]- 117.03646 117.3
[M+NH4]+ 136.07756 141.1
[M+K]+ 157.00690 127.2
[M+H-H2O]+ 101.04100 117.0
[M+HCOO]- 163.04194 140.0
[M+CH3COO]- 177.05759 161.5
[M+Na-2H]- 139.01841 125.0
[M]+ 118.04319 119.4
[M]- 118.04429 119.4
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