CID 44119810

Bicyclo[2.2.1]hept-2-en-2-ylboronic acid

Structural Information

Molecular Formula
C7H11BO2
SMILES
B(C1=CC2CCC1C2)(O)O
InChI
InChI=1S/C7H11BO2/c9-8(10)7-4-5-1-2-6(7)3-5/h4-6,9-10H,1-3H2
InChIKey
USTOMIGLBPEIBM-UHFFFAOYSA-N
Compound name
2-bicyclo[2.2.1]hept-2-enylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

138.0852 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.09248 129.1
[M+Na]+ 161.07442 136.2
[M-H]- 137.07792 129.6
[M+NH4]+ 156.11902 154.6
[M+K]+ 177.04836 134.3
[M+H-H2O]+ 121.08246 125.7
[M+HCOO]- 183.08340 148.7
[M+CH3COO]- 197.09905 168.4
[M+Na-2H]- 159.05987 132.5
[M]+ 138.08465 126.8
[M]- 138.08575 126.8
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