CID 11137192

(2-ethylbutyl)boronic acid

Structural Information

Molecular Formula
C6H15BO2
SMILES
B(CC(CC)CC)(O)O
InChI
InChI=1S/C6H15BO2/c1-3-6(4-2)5-7(8)9/h6,8-9H,3-5H2,1-2H3
InChIKey
TYRRNCPGNQLJQH-UHFFFAOYSA-N
Compound name
2-ethylbutylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.11652 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.12380 130.1
[M+Na]+ 153.10574 135.7
[M-H]- 129.10924 127.5
[M+NH4]+ 148.15034 150.9
[M+K]+ 169.07968 135.3
[M+H-H2O]+ 113.11378 126.0
[M+HCOO]- 175.11472 149.1
[M+CH3COO]- 189.13037 169.9
[M+Na-2H]- 151.09119 133.2
[M]+ 130.11597 129.5
[M]- 130.11707 129.5
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.