CID 4366887

4-methylpent-1-enylboronic acid

Structural Information

Molecular Formula
C6H13BO2
SMILES
B(C=CCC(C)C)(O)O
InChI
InChI=1S/C6H13BO2/c1-6(2)4-3-5-7(8)9/h3,5-6,8-9H,4H2,1-2H3
InChIKey
OLTGERMANPOCTC-UHFFFAOYSA-N
Compound name
4-methylpent-1-enylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

128.10086 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.10814 128.7
[M+Na]+ 151.09008 134.7
[M-H]- 127.09358 126.2
[M+NH4]+ 146.13468 149.6
[M+K]+ 167.06402 133.7
[M+H-H2O]+ 111.09812 124.7
[M+HCOO]- 173.09906 148.0
[M+CH3COO]- 187.11471 168.3
[M+Na-2H]- 149.07553 131.9
[M]+ 128.10031 127.3
[M]- 128.10141 127.3
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