CID 5706775

86595-37-1

Structural Information

Molecular Formula
C6H13BO2
SMILES
B(/C=C/C(C)(C)C)(O)O
InChI
InChI=1S/C6H13BO2/c1-6(2,3)4-5-7(8)9/h4-5,8-9H,1-3H3/b5-4+
InChIKey
CTIWKIMYFQSVBZ-SNAWJCMRSA-N
Compound name
[(E)-3,3-dimethylbut-1-enyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

128.10086 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.10814 128.1
[M+Na]+ 151.09008 136.9
[M+NH4]+ 146.13468 134.9
[M+K]+ 167.06402 133.4
[M-H]- 127.09358 125.5
[M+Na-2H]- 149.07553 130.3
[M]+ 128.10031 128.3
[M]- 128.10141 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe