CID 16218386

701261-35-0

Structural Information

Molecular Formula
C5H13BO2
SMILES
B(CC(C)(C)C)(O)O
InChI
InChI=1S/C5H13BO2/c1-5(2,3)4-6(7)8/h7-8H,4H2,1-3H3
InChIKey
VCPOZKMTAGEGOT-UHFFFAOYSA-N
Compound name
2,2-dimethylpropylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

116.10086 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.10814 124.7
[M+Na]+ 139.09008 131.5
[M-H]- 115.09358 122.6
[M+NH4]+ 134.13468 146.4
[M+K]+ 155.06402 131.3
[M+H-H2O]+ 99.098120 121.5
[M+HCOO]- 161.09906 143.6
[M+CH3COO]- 175.11471 165.6
[M+Na-2H]- 137.07553 130.4
[M]+ 116.10031 123.8
[M]- 116.10141 123.8
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