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

152
Patents

128.10086 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.10814 128.0
[M+Na]+ 151.09008 134.8
[M-H]- 127.09358 125.8
[M+NH4]+ 146.13468 149.2
[M+K]+ 167.06402 133.7
[M+H-H2O]+ 111.09812 124.7
[M+HCOO]- 173.09906 146.8
[M+CH3COO]- 187.11471 167.0
[M+Na-2H]- 149.07553 133.2
[M]+ 128.10031 126.7
[M]- 128.10141 126.7
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